SCHEMBL6329301

SCHEMBL6329301

CC[CH]N1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.43
CASP3 P42574 3/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
GLS O94925 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SENP8 Q96LD8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5177139 0.83 DRD3 (0.44) DRD3CASP3ALDH1A1MEN1GAA
SCHEMBL28669956 0.79 DRD3 (0.41) DRD3CASP3ALDH1A1TSHRMAPK1
SCHEMBL6050329 0.79 NR1H2 (0.46) DRD3ALDH1A1CA12CA9TDP1
SCHEMBL5190685 0.78 ALDH1A1 (0.44) CASP3ALDH1A1GAACA12CA9
SCHEMBL27338871 0.78 CA12 (0.44) CASP3ALDH1A1MAPK1GAARAB9A
SCHEMBL2183011 0.78 CASP3 (0.40) CASP3ALDH1A1MEN1GAAKMT2A
SCHEMBL8328628 0.77 NR1H2 (0.49) ALDH1A1CA12CA9
SCHEMBL8332447 0.77 NR1H2 (0.49) ALDH1A1CA12CA9
SCHEMBL6214680 0.77 DRD3 (0.40) DRD3CASP3ALDH1A1MEN1GAA
SCHEMBL8331683 0.77 NR1H2 (0.49) ALDH1A1CA12CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979690-B2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-12-27 US claimed
EP-0876428-B1 SULFO BENZ e]INDOCYANINE FLUORESCENT DYES INNOSENSE S R L (IT) 2004-11-17 EP claimed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US claimed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP claimed
US-20030050310-A1 Hydroxamic acid derivatives as proteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-03-13 US claimed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP claimed
US-6479502-B1 TREATMENT OF DISEASES AND CONDITIONS RESPONSIVE TO MODULATION OF MATRIX METALLOPROTEINASE ACTIVITY BRITISH BIOTECH PHARMACEUTICALS (GB) 2002-11-12 US claimed
EP-1107953-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-06-20 EP claimed
US-6136612-A THAT CAN BE EXCITED USING INEXPENSIVE LIGHT EMITTING DIODES AND DIODE LASERS, EXHIBIT GOOD WATER SOLUBILITY, AND CAN BE CONJUGATED TO A WIDE VARIETY OF MOLECULES OR SURFACES FOR LABELING PURPOSES; USE IN IMMUNOASSAY, DNA PROBES SORIN BIOMEDICA CARDIO S.P.A. (IT) 2000-10-24 US claimed
US-6103739-A BONE RESORPTION; ANTIINFLAMMATORY AGENTS, SKIN DISORDERS; ANTITUMOR-CARCINOGENIC AND METASTASES AGENTS; ANGIOGENESIS INHIBITORS; ANTIARRITHIC AGENTS; RHEUMATOID DISEASES; OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS AND CORNEAL ULCERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-15 US claimed
WO-2000012477-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-03-09 WO claimed
EP-0944597-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP claimed
EP-0876428-A1 SULFO BENZ e]INDOCYANINE FLUORESCENT DYES SORIN BIOMEDICA CARDIO S.p.A. (IT) 1998-11-11 EP claimed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP claimed
WO-1998023588-A9 METALLOPROTEINASE INHIBITORS 1998-09-17 WO claimed
WO-1998023588-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-04 WO claimed
WO-1997013810-A1 SULFO BENZ[e]INDOCYANINE FLUORESCENT DYES SORIN BIOMEDICA CARDIO S.P.A. (IT) 1997-04-17 WO claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed
CN-1976915-A HIV integrase inhibitors SMITHKLINE BEECHAM CORP (US) 2007-06-06 CN disclosed
US-6979690-B2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-12-27 US disclosed
US-6916800-B2 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent PFIZER INC (US) 2005-07-12 US disclosed
US-20050107349-A1 Method for the treatment or prevention of respiratory disorders with a cyclooxygenase-2 inhibitor in combination with a muscarinic receptor antagonist and compositions therewith PHARMACIA CORPORATION (US) 2005-05-19 US disclosed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US disclosed
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO disclosed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP disclosed
US-20030050310-A1 Hydroxamic acid derivatives as proteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-03-13 US disclosed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP disclosed
US-6479502-B1 TREATMENT OF DISEASES AND CONDITIONS RESPONSIVE TO MODULATION OF MATRIX METALLOPROTEINASE ACTIVITY BRITISH BIOTECH PHARMACEUTICALS (GB) 2002-11-12 US disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed
EP-1107953-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-06-20 EP disclosed
US-6103739-A BONE RESORPTION; ANTIINFLAMMATORY AGENTS, SKIN DISORDERS; ANTITUMOR-CARCINOGENIC AND METASTASES AGENTS; ANGIOGENESIS INHIBITORS; ANTIARRITHIC AGENTS; RHEUMATOID DISEASES; OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS AND CORNEAL ULCERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-15 US disclosed
WO-2000012477-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-03-09 WO disclosed
EP-0944597-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP disclosed
EP-0766688-A4 SYNTHESIS OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 1998-12-30 EP disclosed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP disclosed
WO-1998023588-A9 METALLOPROTEINASE INHIBITORS 1998-09-17 WO disclosed
WO-1998023588-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-04 WO disclosed
EP-0766688-A1 SYNTHESIS OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1997-04-09 EP disclosed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO disclosed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO disclosed
WO-1995032980-A1 SYNTHESIS OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-12-07 WO disclosed
EP-0600831-A1 Phtalazinon derivatives CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0600830-A1 Substituted derivatives of diaminophthalimide as protein-tyrosine kinase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0111281-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 EP disclosed
US-4839365-A Thienopyridine derivatives useful in treating gastric ulcers SHINOGI & CO., LTD. (JP) 1989-06-13 US disclosed
EP-0292051-A2 Thienopyridine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-11-23 EP disclosed
US-4719206-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-01-12 US disclosed
US-4584290-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-22 US disclosed
EP-0111281-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-20 EP disclosed
US-4439433-A CEPHALOSPORIN ANTIBIOTICS ROUSSEL UCLAF (FR) 1984-03-27 US disclosed
US-4138551-A DINUCLEAR CYANINE OR MEROCYANINE DYE REACTIVE WITH HYDROPHILIC COLLODI CIBA-GEIGY AG (CH) 1979-02-06 US disclosed
US-4138551-A DINUCLEAR CYANINE OR MEROCYANINE DYE REACTIVE WITH HYDROPHILIC COLLODI CIBA-GEIGY AG (CH) 1979-02-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107349-A1 Method for the treatment or prevention of respiratory disorders with a cyclooxygenase-2 inhibitor in combination with a muscarinic receptor antagonist and compositions therewith CHRM3, CYSLTR2, CHRM2 DRD3 1552/4885CASP3 3391/4885ALDH1A1 1220/4885
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators HRH4, HRH2, HTR4 DRD3 342/4885CASP3 4026/4885ALDH1A1 2035/4885
US-20030050310-A1 Hydroxamic acid derivatives as proteinase inhibitors MMP2, CTSH, TIMP3 DRD3 4718/4885CASP3 408/4885ALDH1A1 970/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.