SCHEMBL6372108

SCHEMBL6372108

CCc1cc(-c2ccc(CCNCc3ccccc3)s2)c(C)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTR6 P50406 2/20 0.35

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
SCHEMBL6372014 0.90 TP53 (0.48) CDC7CCNE1CDK2ROCK1DBF4
Hydrochloric Acid SCHEMBL2673540 0.89 TP53 (0.47) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL6372808 0.82 ALDH1A1 (0.43) TAAR1KMT2AMEN1ALDH1A1HTR2A
SCHEMBL6371167 0.82 ATM (0.39) S1PR1KMT2AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL2674120 0.81 ALDH1A1 (0.44) ALDH1A1HTR2ALMNA
SCHEMBL6371372 0.81 KDM4E (0.38) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL5709785 0.81 ADRB2 (0.40) TAAR1ALDH1A1HTR2AHTR6ADRB2
Hydrochloric Acid SCHEMBL2673501 0.81 ATM (0.39) S1PR1KMT2AMEN1KDM4EALDH1A1
SCHEMBL6372370 0.81 KDM4E (0.39) CDC7CCNE1CDK2ROCK1DBF4
Hydrochloric Acid SCHEMBL14142128 0.81 KDM4E (0.37) CDC7CCNE1CDK2ROCK1DBF4

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 disclosed
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 CDC7 1271/4885CCNE1 823/4885CDK2 148/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CDC7 1271/4885CCNE1 823/4885CDK2 148/4885

“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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