SCHEMBL771987

SCHEMBL771987

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CBr)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
KIF11 P52732 1/20 0.48
GSK3B P49841 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
MDH2 P40926 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NPC1 O15118 1/20 0.38
NPY5R Q15761 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL14572904 0.93 PARP1 (0.47) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL14253832 0.92 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3590838 0.92 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL771211 0.90 NPC1 (0.48) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL4562814 0.89 PARP1 (0.45) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3580781 0.87 PARP1 (0.43) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL393420 0.86 PARP1 (0.52) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL393756 0.85 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL13936706 0.85 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3939786 0.84 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PARP1 1815/4885KIF11 2609/4885GSK3B 3329/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PARP1 1815/4885KIF11 2609/4885GSK3B 3329/4885

“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.