SCHEMBL771946

SCHEMBL771946

COC(=O)C1=C(O)c2ccc(Cl)cc2NC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.46
CMA1 P23946 1/20 0.46
PLK1 P53350 8/20 0.42
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
GSK3B P49841 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CES1 P23141 1/20 0.40
MDH2 P40926 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ALPL P05186 1/20 0.39
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL31399090 1.00 AHR (0.46) AHRCMA1PLK1CCNB2CDK1
SCHEMBL771568 0.86 KDM4E (0.43) AHRCMA1CCNB2CDK1CCNB1
SCHEMBL29783128 0.86 PLK1 (0.40) PLK1CCNB2CDK1CCNB1GSK3B
SCHEMBL25556303 0.86 PLK1 (0.40) PLK1CCNB2CDK1CCNB1GSK3B
SCHEMBL25556335 0.85 TGM2 (0.41) PLK1CCNB2CDK1CCNB1GSK3B
SCHEMBL25556641 0.85 CMA1 (0.46) AHRCMA1CCNB2CDK1CCNB1
SCHEMBL29783088 0.85 PDE3B (0.50) PLK1CCNB2CDK1CCNB1GSK3B
SCHEMBL25556267 0.85 PDE3B (0.50) PLK1CCNB2CDK1CCNB1GSK3B
SCHEMBL29783105 0.81 CCNB2 (0.47) PLK1CCNB2CDK1CCNB1GSK3B
SCHEMBL25556438 0.81 CCNB2 (0.47) PLK1CCNB2CDK1CCNB1GSK3B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088420-A1 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-05-25 WO disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-7041662-B2 Substituted benzo [b] azepin-2-one compounds GRUNENTHAL GMBH (DE) 2006-05-09 US disclosed
US-20040224980-A1 Substituted 1H-quinolin-2-one compounds GRUNENTHAL GMBH (DE) 2004-11-11 US disclosed
US-20040224938-A1 Substituted benzo [b] azepin-2-one compounds GRUNENTHAL GMBH (DE) 2004-11-11 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 AHR 2775/4885CMA1 1440/4885PLK1 1122/4885
US-20040224938-A1 Substituted benzo [b] azepin-2-one compounds GABARAPL2, GABBR2, GABBR1 AHR 2796/4885CMA1 338/4885PLK1 3379/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 AHR 2775/4885CMA1 1440/4885PLK1 1122/4885
US-20040224980-A1 Substituted 1H-quinolin-2-one compounds NQO1, QARS1, QDPR AHR 3560/4885CMA1 164/4885PLK1 567/4885

“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.