SCHEMBL773522

SCHEMBL773522

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(C)cc3N)n(CC(C)=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SCN9A Q15858 5/20 0.36
ALOX15 P16050 3/20 0.35
USP14 P54578 1/20 0.35
MAPT P10636 2/20 0.34
KCNH2 Q12809 2/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34

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
SCHEMBL13285760 0.91 PRKCA (0.36) NPC1CYP3A4CYP2C19SCN9AMAPT
SCHEMBL792566 0.90 TP53 (0.35) ALDH1A1SMN1; SMN2KDM4ELMNASCN9A
SCHEMBL10283174 0.84 TP53 (0.32) HSD17B10
SCHEMBL771509 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1SMN1; SMN2ATMKDM4E
SCHEMBL771574 0.79 SCN9A (0.37) ALDH1A1NPSR1SMN1; SMN2ATMKDM4E
SCHEMBL4825604 0.79 PRKCA (0.38) ALDH1A1NPSR1SMN1; SMN2ATMKDM4E
SCHEMBL772121 0.78 ALOX15 (0.37) ALDH1A1NPSR1SMN1; SMN2ATMKDM4E
SCHEMBL3571468 0.77 FABP4 (0.41) ALDH1A1NPSR1SMN1; SMN2ATMKDM4E
SCHEMBL10293514 0.75 ALDH1A1 (0.38) ALDH1A1NPSR1SMN1; SMN2ATMKDM4E
SCHEMBL3088332 0.75 NR1I2 (0.38) ALDH1A1NPSR1SMN1; SMN2ATMKDM4E

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 ALDH1A1 750/4885NPSR1 3973/4885SMN1; SMN2 4306/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885NPSR1 3973/4885SMN1; SMN2 4306/4885

“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.