SCHEMBL194554

SCHEMBL194554

O=[C]c1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
CYP2A6 P11509 2/20 0.50
F12 P00748 1/20 0.50
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLG P00747 1/20 0.42
LMNA P02545 2/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
COMT P21964 1/20 0.41
CYP3A4 P08684 3/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL15947640 0.83 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2418686 0.79 CYP2A6 (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29358794 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL251028 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2852412 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL7544045 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2008309 0.78 CLK1 (0.41) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2013043 0.76 HTT (0.41) ALDH1A1LMNACYP3A4MAPK1CYP2C19
SCHEMBL15940603 0.75 ADORA2A (0.54) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2007551 0.73 LMNA (0.52) MAPTALDH1A1SMN1; SMN2LMNACOMT

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 650 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586170-B Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-04-09 CN claimed
CN-117586170-A Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-02-23 CN claimed
CN-117209395-A Synthesis method and anticancer activity of selective targeted proliferation cell nuclear antigen drug 苏州祥沁医疗科技有限公司 2023-12-12 CN claimed
US-7994335-B2 Electronically tuned ligands for asymmetric hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-09 US claimed
US-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 US claimed
US-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer MERCK PATENT GMBH (DE) 2008-08-14 US claimed
WO-2008067218-A1 ELECTRONICALLY TUNED LIGANDS FOR ASYMMETRIC HYDROGENATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-05 WO claimed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 US claimed
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS, INC. (US) 2006-01-19 US claimed
US-5510487-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1996-04-23 US claimed
US-5482947-A ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS TALLEY JOHN J (US) 1996-01-09 US claimed
US-5430041-A Amino acid derivatives having antiviral activity HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US claimed
US-5322842-A Tricyclic benzodiazepine derivates, their preparation, and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-21 US claimed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP claimed
EP-0544909-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP claimed
WO-1992003438-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-05 WO claimed
US-5021421-A Psychotropic agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 PLAU 1700/4885CYP2A6 3217/4885F12 1313/4885
US-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BID, HDHD5, HRH4 PLAU 3052/4885CYP2A6 1228/4885F12 4856/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 PLAU 1700/4885CYP2A6 3217/4885F12 1313/4885
US-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer IGF1R, INHA, CCNO PLAU 4021/4885CYP2A6 1158/4885F12 360/4885

“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.