SCHEMBL6372014

SCHEMBL6372014

CCc1cc(-c2ccc(CNCc3ccccc3)s2)c(C)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CDC7 O00311 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ DBF4 Q9UBU7 2/20 0.42
▸ S1PR1 P21453 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GPR55 Q9Y2T6 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ PARP1 P09874 1/20 0.36

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
Hydrochloric Acid SCHEMBL2673540 0.99 TP53 (0.47) TP53THRBCDC7CCNE1CDK2
SCHEMBL6371372 0.91 KDM4E (0.38) TP53THRBCDC7CCNE1CDK2
SCHEMBL6372108 0.90 CDC7 (0.38) TP53THRBCDC7CCNE1CDK2
SCHEMBL6372370 0.90 KDM4E (0.39) TP53THRBCDC7CCNE1CDK2
Hydrochloric Acid SCHEMBL14142128 0.90 KDM4E (0.37) TP53THRBCDC7CCNE1CDK2
Hydrochloric Acid SCHEMBL14142551 0.89 KDM4E (0.41) TP53THRBCDC7CCNE1CDK2
SCHEMBL6372055 0.89 FABP4 (0.36) TP53THRBCDC7CCNE1CDK2
SCHEMBL6371337 0.89 PDE3B (0.38) TP53THRBCDC7CCNE1CDK2
SCHEMBL6371172 0.88 PDE3B (0.41) TP53THRBALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL2673835 0.88 CYP2C19 (0.40) TP53THRBCDC7CCNE1CDK2

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
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — 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 (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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 TP53 3222/4885THRB 3030/4885CDC7 1271/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 TP53 3222/4885THRB 3030/4885CDC7 1271/4885

“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.

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