SCHEMBL773063

SCHEMBL773063

O=C(NCCc1ccc(O)cc1)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
NPC1 O15118 6/20 0.44
KLF5 Q13887 2/20 0.44
PKM P14618 1/20 0.44
PAX8 Q06710 1/20 0.44
SCN9A Q15858 1/20 0.43
RAB9A P51151 5/20 0.43
NR1I2 O75469 1/20 0.41
ROCK2 O75116 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 5/20 0.40
TP53 P04637 2/20 0.40
NAMPT P43490 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PPARG P37231 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL772832 0.91 PRKCA (0.45) PRKCAMMP12NPC1KLF5PKM
SCHEMBL774250 0.86 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2ROCK2
SCHEMBL772124 0.86 PRKCA (0.49) PRKCAMMP12NPC1PKMSCN9A
SCHEMBL774557 0.85 PRKCA (0.54) PRKCAMMP12SCN9ARAB9ANR1I2
SCHEMBL774032 0.85 PRKCA (0.48) PRKCAMMP12NPC1SCN9ARAB9A
SCHEMBL774547 0.85 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2HDAC6
SCHEMBL774159 0.85 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2ROCK2
SCHEMBL772404 0.85 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2ROCK2
SCHEMBL773476 0.84 PRKCA (0.48) PRKCAMMP12NPC1KLF5PKM
SCHEMBL773150 0.84 PRKCA (0.49) PRKCAMMP12NPC1KLF5PKM

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-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 PRKCA 2404/4885MMP12 1013/4885NPC1 1131/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885NPC1 1131/4885

“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.