SCHEMBL772040

SCHEMBL772040

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(C)cc3NC(=O)CCl)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
PARP1 P09874 1/20 0.39
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 2/20 0.36
GSK3B P49841 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL772141 0.91 HPGD (0.40) SMN1; SMN2HPGDPARP1KIF11ALDH1A1
SCHEMBL10283176 0.91 ALDH1A1 (0.42) SMN1; SMN2PARP1ALDH1A1HTTMEN1
SCHEMBL772032 0.90 PARP1 (0.45) SMN1; SMN2HPGDPARP1KIF11ALDH1A1
SCHEMBL13285746 0.86 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL10283244 0.86 MEN1 (0.35) SMN1; SMN2HPGDPARP1ALDH1A1NPSR1
SCHEMBL14572870 0.85 KDM4E (0.39) SMN1; SMN2HPGDPARP1ALDH1A1NPSR1
SCHEMBL771436 0.85 PARP1 (0.43) SMN1; SMN2HPGDPARP1KIF11ALDH1A1
SCHEMBL771413 0.85 PARP1 (0.38) HPGDPARP1KIF11ALDH1A1MEN1
SCHEMBL771997 0.83 PARP1 (0.44) SMN1; SMN2HPGDPARP1KIF11ALDH1A1
Hydrochloric Acid SCHEMBL771482 0.82 PARP1 (0.43) SMN1; SMN2HPGDPARP1KIF11ALDH1A1

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 SMN1; SMN2 4306/4885HPGD 2752/4885PARP1 1815/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885HPGD 2752/4885PARP1 1815/4885

“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.