SCHEMBL773812

SCHEMBL773812

O=C(NC(CCO)c1nc2ccccc2[nH]1)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 2/20 0.42
MEN1 O00255 2/20 0.42
APOBEC3A P31941 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
FPR1 P21462 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
NR1I2 O75469 1/20 0.38
SCN9A Q15858 1/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.37
GLA P06280 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
SCHEMBL774323 0.89 TDP1 (0.48) PRKCAMMP12KMT2AALDH1A1ALOX12
SCHEMBL771165 0.83 RPS6KA2 (0.47) PRKCAMMP12KMT2AALDH1A1MEN1
SCHEMBL772489 0.83 ROCK2 (0.48) PRKCAMMP12KMT2ASMN1; SMN2MAPT
SCHEMBL773708 0.80 PRKCA (0.44) PRKCAMMP12KMT2AALDH1A1MEN1
SCHEMBL772014 0.78 PRKCA (0.49) PRKCAMMP12KMT2AALDH1A1MEN1
SCHEMBL772963 0.78 PRKCA (0.49) PRKCAMMP12KMT2AALDH1A1MEN1
SCHEMBL774058 0.77 PRKCA (0.42) PRKCAMMP12NR1I2SCN9A
SCHEMBL774045 0.77 PRKCA (0.49) PRKCAMMP12KMT2ASMN1; SMN2NR1I2
SCHEMBL772608 0.77 PRKCA (0.54) PRKCAMMP12NR1I2SCN9A
SCHEMBL771771 0.77 PRKCA (0.49) PRKCAMMP12SMN1; SMN2NR1I2SCN9A

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 6 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
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 1013/4885KMT2A 1865/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885KMT2A 1865/4885

“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.