SCHEMBL771997

SCHEMBL771997

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
KIF11 P52732 2/20 0.44
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
DYRK1A Q13627 1/20 0.39
CSNK2A1 P68400 1/20 0.39
GSK3B P49841 1/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 3/20 0.38
NR4A2 P43354 1/20 0.37
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
Hydrochloric Acid SCHEMBL771482 0.99 PARP1 (0.43) PARP1KIF11ALDH1A1SMN1; SMN2NPSR1
SCHEMBL772373 0.89 PARP1 (0.43) PARP1KIF11ALDH1A1SMN1; SMN2NPSR1
SCHEMBL393756 0.88 PARP1 (0.51) PARP1KIF11ALDH1A1SMN1; SMN2NPSR1
SCHEMBL803703 0.85 NPC1 (0.42) KIF11ALDH1A1KDM4ERAB9ANPC1
SCHEMBL14448734 0.84 KIF11 (0.51) PARP1KIF11ALDH1A1SMN1; SMN2NPSR1
SCHEMBL771442 0.83 PARP1 (0.48) PARP1KIF11ALDH1A1SMN1; SMN2NPSR1
SCHEMBL772040 0.83 SMN1; SMN2 (0.40) PARP1KIF11ALDH1A1SMN1; SMN2NPSR1
SCHEMBL772338 0.82 LNPEP (0.42) PARP1KIF11ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14572871 0.82 KDM4E (0.43) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL2279943 0.81 PARP1 (0.45) PARP1KIF11ALDH1A1SMN1; SMN2NPSR1

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 8 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
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 2609/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PARP1 1815/4885KIF11 2609/4885ALDH1A1 750/4885

“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.