SCHEMBL771072

SCHEMBL771072

O=C(O)Cc1ccc(NC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CCOc2ccccc2-4)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
SCN9A Q15858 1/20 0.43
NR1H4 Q96RI1 4/20 0.42
NR1I2 O75469 1/20 0.41
KMT2A Q03164 4/20 0.40
FFAR1 O14842 2/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 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
SCHEMBL771554 0.91 CYP3A4 (0.51) PRKCAMMP12CYP26A1CYP26B1SCN9A
SCHEMBL772113 0.91 PRKCA (0.55) PRKCAMMP12SCN9ANR1I2KMT2A
SCHEMBL772124 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2KMT2A
SCHEMBL772543 0.89 PRKCA (0.43) PRKCAMMP12CYP26A1CYP26B1SCN9A
SCHEMBL771315 0.89 PRKCA (0.44) PRKCAMMP12CYP26A1CYP26B1SCN9A
SCHEMBL771855 0.88 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2KMT2A
SCHEMBL10283503 0.86 PRKCA (0.45) PRKCAMMP12CYP26A1CYP26B1SCN9A
SCHEMBL774547 0.85 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL771306 0.84 CYP3A4 (0.49) PRKCAMMP12SCN9ANR1I2CPT1A
SCHEMBL774557 0.84 PRKCA (0.54) PRKCAMMP12SCN9ANR1H4NR1I2

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
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-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
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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885CYP26A1 1623/4885

“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.