SCHEMBL6371216

SCHEMBL6371216

CCc1cc(-c2ccc(CN3CCOCC3)o2)c(C)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TP53 P04637 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL6372024 0.91 ALDH1A1 (0.41) HSD17B10KDM4EALDH1A1KMT2APOLB
SCHEMBL6371224 0.84 CDC7 (0.38) KDM4EALDH1A1LMNAKMT2APOLB
SCHEMBL6371206 0.82 CDC7 (0.39) ALDH1A1LMNAKMT2APOLB
Hydrochloric Acid SCHEMBL2672841 0.81 CDC7 (0.39) ALDH1A1LMNAKMT2APOLB
SCHEMBL6370969 0.79 TNKS (0.53) HSD17B10KDM4EALDH1A1LMNAATM
Hydrochloric Acid SCHEMBL2673942 0.78 TNKS (0.52) HSD17B10KDM4EALDH1A1LMNAATM
SCHEMBL2672706 0.78 CYP2A6 (0.49) KDM4EALDH1A1GAA
SCHEMBL2673527 0.78 ALDH1A1 (0.46) KDM4EALDH1A1TP53POLBGAA
SCHEMBL6371975 0.77 ALDH1A1 (0.47) HSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL14142483 0.77 ALDH1A1 (0.47) HSD17B10ALDH1A1HPGD

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 7 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-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 HTT 1537/4885HSD17B10 1737/4885KDM4E 1262/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 HTT 1537/4885HSD17B10 1737/4885KDM4E 1262/4885

“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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