SCHEMBL6371576

SCHEMBL6371576

CCc1cc(-c2ccc(CNC(=O)C3CCCC3)o2)c(C)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ERCC1 P07992 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RECQL P46063 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
SCHEMBL2673997 0.84 KDM4E (0.36) TP53ALDH1A1CYP2C19KDM4EHSD17B10
SCHEMBL2673206 0.79 ALDH1A1 (0.41) TP53KMT2ARAB9AALDH1A1KDM4E
SCHEMBL2673527 0.76 ALDH1A1 (0.46) TP53RAB9AALDH1A1CYP2C19KDM4E
SCHEMBL2673754 0.76 KMT2A (0.52) HTTKMT2ARAB9AALDH1A1HSD17B10
SCHEMBL6371609 0.75 TSHR (0.42) HTTKMT2ARAB9AALDH1A1CYP2C19
SCHEMBL2673416 0.74 KDM4E (0.46) TP53KMT2ARAB9AALDH1A1KDM4E
SCHEMBL6372683 0.73 LDHA (0.44) TP53HTTALDH1A1KDM4EHSD17B10
SCHEMBL6372024 0.73 ALDH1A1 (0.41) KMT2ARAB9AALDH1A1KDM4EHSD17B10
SCHEMBL2673774 0.72 HPGD (0.43) KMT2ARAB9AALDH1A1CYP2C19KDM4E
Hydrochloric Acid SCHEMBL2673379 0.72 LDHA (0.43) TP53HTTALDH1A1KDM4EHSD17B10

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 TP53 3222/4885HTT 1537/4885KMT2A 1291/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 TP53 3222/4885HTT 1537/4885KMT2A 1291/4885

“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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