SCHEMBL2679292

SCHEMBL2679292

CCc1cc(-c2ccc(C(N)=O)o2)c(C)[nH]c1=O.CCc1cc(-c2ccc(CN)o2)c(C)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.41
▸ CYP2E1 P05181 4/20 0.41
▸ CYP2C8 P10632 4/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ CYP2A6 P11509 4/20 0.41
▸ CYP2B6 P20813 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ SLC9A1 P19634 5/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ LMNA P02545 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ PRNP P04156 1/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR2 O95136 1/20 0.33

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
SCHEMBL2672600 0.92 SLC9A1 (0.42) SLC9A1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL2672706 0.89 CYP2A6 (0.49) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL2673890 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HSP90AA1HSD17B10HPGD
SCHEMBL2673527 0.80 ALDH1A1 (0.46) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL2673813 0.78 HSP90AA1 (0.38) CYP1A2CYP2C19SLC9A1KDM4EALDH1A1
SCHEMBL28764228 0.76 THRB (0.41) SLC9A1ALDH1A1POLBS1PR1PDE3B
SCHEMBL2673997 0.76 KDM4E (0.36) CYP1A2CYP2D6CYP2C19CYP2C9KDM4E
SCHEMBL14142525 0.75 HSP90AA1 (0.34) SLC9A1KDM4EALDH1A1POLBHSP90AA1
Cyclopentane SCHEMBL14142670 0.74 ALDH1A1 (0.34) CYP1A2CYP2D6CYP2C19CYP2C9KDM4E
SCHEMBL2673384 0.73 HSP90AA1 (0.37) SLC9A1KDM4EPOLBHSP90AA1LMNA

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 4 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-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 CYP1A2 591/4885CYP2E1 1102/4885CYP2C8 2094/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CYP1A2 591/4885CYP2E1 1102/4885CYP2C8 2094/4885

“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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