SCHEMBL400747

SCHEMBL400747

COc1cccc(C[NH])c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ABCB1 P08183 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA14 Q9ULX7 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
CRHBP P24387 1/20 0.49
MAPK1 P28482 1/20 0.49
CRHR2 Q13324 1/20 0.49
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6856486 0.84 CA12 (0.54) SMN1; SMN2ALDH1A1ABCB1KDM4EABCG2
Hydrochloric Acid SCHEMBL17318418 0.83 SMN1; SMN2 (0.50) IDO1SMN1; SMN2ALDH1A1ABCB1KDM4E
SCHEMBL3306584 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1ABCB1KDM4EABCG2
Hydrochloric Acid SCHEMBL5485820 0.82 CA12 (0.51) IDO1SMN1; SMN2ALDH1A1ABCB1KDM4E
SCHEMBL775238 0.81 AOC3 (0.53) SMN1; SMN2ALDH1A1KDM4EPOLBGAA
SCHEMBL464374 0.81 CA12 (0.54) SMN1; SMN2ALDH1A1ABCB1KDM4EABCG2
SCHEMBL43208 0.80 IDO1 (0.61) IDO1SMN1; SMN2ALDH1A1CA12CA1
SCHEMBL11567490 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ABCB1KDM4EABCG2
Hydrochloric Acid SCHEMBL31658961 0.79 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4ECA12CA1
SCHEMBL95872 0.79 CA12 (0.53) SMN1; SMN2ALDH1A1ABCB1KDM4EABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP claimed
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 EP claimed
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACADIA PHARMACEUTICALS INC. 2006-09-28 US claimed
WO-2006089286-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. (US) 2006-08-24 WO claimed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US claimed
CN-1656073-A Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2005-08-17 CN claimed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP claimed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 WO claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
US-6515122-B1 The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing tetracyclic benzimidazole derivative compounds. LION BIOSCIENCE AG (DE) 2003-02-04 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 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 (2 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-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA IDO1 3722/4885SMN1; SMN2 2710/4885ALDH1A1 3040/4885
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACHE, OPRL1, OPRK1 IDO1 3760/4885SMN1; SMN2 1227/4885ALDH1A1 634/4885

“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.