SCHEMBL7675508

SCHEMBL7675508

Cc1ccc(-c2ncccc2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
CNR2 P34972 1/20 0.50
HDAC1 Q13547 1/20 0.48
ERBB2 P04626 1/20 0.45
SYK P43405 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
ADORA1 P30542 3/20 0.44
ADORA2A P29274 2/20 0.44
CDK1 P06493 1/20 0.43
KDR P35968 1/20 0.43
LRRK2 Q5S007 1/20 0.43
HSD11B1 P28845 1/20 0.43
PDE9A O76083 1/20 0.43
ADORA2B P29275 1/20 0.42
ELANE P08246 1/20 0.42
SCN9A Q15858 1/20 0.41
TSHR P16473 1/20 0.39
AR P10275 1/20 0.39
KCNH2 Q12809 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
SCHEMBL17116613 0.84 CNR2 (0.51) TRPV1CNR2HDAC1LRRK2KCNH2
SCHEMBL1146096 0.83 HDAC1 (0.51) TRPV1CNR2HDAC1ERBB2ADORA1
SCHEMBL29768457 0.83 HDAC1 (0.51) TRPV1CNR2HDAC1ERBB2ADORA1
SCHEMBL21283226 0.82 CNR2 (0.50) TRPV1CNR2HDAC1ERBB2ADORA1
SCHEMBL2471399 0.82 ESR2 (0.53) TRPV1CNR2HDAC1ADORA1ADORA2A
SCHEMBL24185307 0.82 CNR2 (0.50) TRPV1CNR2HDAC1ERBB2ADORA1
SCHEMBL18461458 0.82 HDAC1 (0.51) TRPV1CNR2HDAC1ADORA1ADORA2A
SCHEMBL5826057 0.81 HDAC1 (0.50) TRPV1CNR2HDAC1ERBB2ADORA1
SCHEMBL3288734 0.81 CNR2 (0.49) TRPV1CNR2HDAC1ADORA1ADORA2A
SCHEMBL10227481 0.81 HPGD (0.58) TRPV1CNR2HDAC1LRRK2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682941-B2 Substituted biphenyl analogues as dual inhibitors of aromatase and sulfatase ESTRYX PHARMA LIMITED (GB) 2017-06-20 US disclosed
US-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2017-01-05 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-6492397-B1 SUCH AS 1-PROPYL-4-BUTYL-1,3-DIHYDRO-3-((5-(2-(1H-TETRAZOL-5-YL)PHENYL)-2 -PYRIDINYL)METHYL)-2H-IMIDAZOL-2-ONE; ANGIO-TENSIN II ANTAGONISTS; CIRCULATORY DISORDERS; HYPERTENSION, CONGESTIVE HEART FAILURE PHARMACIA CORPORATION 2002-12-10 US disclosed
EP-0664802-B1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 2000-03-15 EP disclosed
US-5922898-A Process for preparing biaryl compounds CATALYTICA PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed
EP-0579766-B1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1999-06-02 EP disclosed
EP-0508393-B1 N-arylheteroarylalkyl imidazol-2-one compounds for treatment of circulatory disorders SEARLE & CO (US) 1999-06-02 EP disclosed
US-5861420-A ANGIOTENSIN II ANTAGONISTS G. D. SEARLE & CO. (US) 1999-01-19 US disclosed
US-5441970-A Administering angiotensin II antagonists to treat congestive heart failure or hypertension G. D. SEARLE & CO. (US) 1995-08-15 US disclosed
EP-0664803-A1 N-ARYLHETEROARYLALKYL 1-CYCLOALKYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed
EP-0619819-A1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1994-10-19 EP disclosed
WO-1994008990-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-04-28 WO disclosed
WO-1994008989-A1 N-ARYLHETEROARYLALKYL 1-CYCLOALKYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-04-28 WO disclosed
EP-0579766-A1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-01-26 EP disclosed
WO-1992018092-A2 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-29 WO disclosed
WO-1992017469-A2 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-15 WO disclosed
EP-0508393-A1 N-arylheteroarylalkyl imidazol-2-one compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP 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 (1 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-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE CYP19A1, SULT2A1, STS TRPV1 4449/4885CNR2 1874/4885HDAC1 2053/4885

“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.