SCHEMBL774359

SCHEMBL774359

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)NC(C)(C)c3nc4cc(C(=O)NCCO)ccc4[nH]3)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.38
KCNH2 Q12809 7/20 0.38
TRPV1 Q8NER1 1/20 0.36
CYP3A4 P08684 3/20 0.35
SCN5A Q14524 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN9A Q15858 3/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
CACNA1G O43497 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL773682 0.92 NR1I2 (0.38) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL772285 0.92 PRKCA (0.39) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL772773 0.92 NR1I2 (0.37) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL772018 0.90 NR1I2 (0.40) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL773906 0.90 NR1I2 (0.38) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL772073 0.90 NR1I2 (0.39) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL773052 0.89 NR1I2 (0.40) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL772740 0.89 NR1I2 (0.37) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL774563 0.88 KCNH2 (0.36) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL773318 0.87 NR1I2 (0.35) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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 7 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
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 NR1I2 1189/4885KCNH2 3813/4885TRPV1 4075/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NR1I2 1189/4885KCNH2 3813/4885TRPV1 4075/4885

“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.