SCHEMBL772373

SCHEMBL772373

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(Cl)cc3N)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
KIF11 P52732 1/20 0.43
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
ABL1 P00519 1/20 0.39
MAP2K4 P45985 1/20 0.39
RET P07949 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NR4A2 P43354 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 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
SCHEMBL771997 0.89 PARP1 (0.44) PARP1KIF11RAB9ANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL771482 0.89 PARP1 (0.43) PARP1KIF11RAB9ANPSR1ALDH1A1
SCHEMBL393756 0.87 PARP1 (0.51) PARP1KIF11RAB9ANPSR1ALDH1A1
SCHEMBL5444125 0.85 PARP1 (0.47) PARP1KIF11RAB9AALDH1A1HPGD
SCHEMBL772141 0.84 HPGD (0.40) PARP1KIF11RAB9ANPSR1ALDH1A1
SCHEMBL771442 0.83 PARP1 (0.48) PARP1KIF11RAB9ANPSR1ALDH1A1
SCHEMBL772338 0.82 LNPEP (0.42) PARP1KIF11ALDH1A1SMN1; SMN2HPGD
SCHEMBL14448734 0.81 KIF11 (0.51) PARP1KIF11RAB9ANPSR1ALDH1A1
SCHEMBL2279943 0.80 PARP1 (0.45) PARP1KIF11RAB9ANPSR1ALDH1A1
SCHEMBL2274121 0.80 PARP1 (0.50) PARP1KIF11RAB9ANPSR1ALDH1A1

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 10 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-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

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 2609/4885RAB9A 2410/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PARP1 1815/4885KIF11 2609/4885RAB9A 2410/4885

“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.