SCHEMBL2198748

SCHEMBL2198748

O=C(O)c1cccc(CNC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CCOc2ccccc2-4)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.54
MMP12 P39900 1/20 0.54
ROCK2 O75116 11/20 0.43
NR1I2 O75469 1/20 0.43
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SCN9A Q15858 1/20 0.41
TBXA2R P21731 1/20 0.39
PPM1D O15297 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL774557 0.93 PRKCA (0.54) PRKCAMMP12NR1I2HPGDRAB9A
SCHEMBL773448 0.89 PRKCA (0.54) PRKCAMMP12ROCK2NR1I2HPGD
SCHEMBL772828 0.88 PRKCA (0.64) PRKCAMMP12NR1I2RAB9ASCN9A
SCHEMBL30486080 0.88 PRKCA (0.64) PRKCAMMP12NR1I2RAB9ASCN9A
SCHEMBL774547 0.86 PRKCA (0.53) PRKCAMMP12NR1I2SCN9A
SCHEMBL877519 0.85 PRKCA (0.63) PRKCAMMP12NR1I2RAB9ASCN9A
SCHEMBL13886730 0.85 PRKCA (0.59) PRKCAMMP12ROCK2NR1I2HPGD
SCHEMBL774045 0.84 PRKCA (0.49) PRKCAMMP12ROCK2NR1I2SCN9A
SCHEMBL772113 0.84 PRKCA (0.55) PRKCAMMP12NR1I2HPGDRAB9A
SCHEMBL773199 0.84 PRKCA (0.49) PRKCAMMP12NR1I2SCN9A

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-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
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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885ROCK2 4024/4885

“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.