SCHEMBL792968

SCHEMBL792968

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)NC(C)(C)C)cc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.47
KCNH2 Q12809 7/20 0.46
CYP3A4 P08684 3/20 0.45
SCN5A Q14524 2/20 0.45
SCN9A Q15858 5/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL772061 0.93 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL771553 0.93 NR1I2 (0.44) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL792931 0.90 KCNH2 (0.48) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL774668 0.89 PRKCA (0.42) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL772881 0.88 PRKCA (0.52) NR1I2CYP3A4SCN9ACYP2C9CYP2C19
SCHEMBL773729 0.88 KCNH2 (0.42) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL772331 0.88 KCNH2 (0.42) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL772000 0.88 PRKCA (0.51) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL771781 0.87 CYP3A4 (0.48) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL772692 0.87 CYP3A4 (0.50) NR1I2KCNH2CYP3A4SCN5ASCN9A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NR1I2 1189/4885KCNH2 3813/4885CYP3A4 1341/4885

“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.