SCHEMBL6371268

SCHEMBL6371268

CCc1cc(-c2ccc(CNC3CCC(O)CC3)s2)c(C)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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 SCHEMBL2673121 0.99 PARP1 (0.34) PARP1PDCD1CD274LMNAGBA1
SCHEMBL6371291 0.95 ALDH1A1 (0.34) PARP1ALOX15EP300KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2673336 0.94 EP300 (0.34) PARP1CYP1A2CYP2D6ALOX15EP300
SCHEMBL6372180 0.90 ALDH1A1 (0.38) PARP1CD274CYP1A2CYP2D6ALOX15
SCHEMBL5710061 0.90 ALDH1A1 (0.40) CYP1A2CYP2D6ALOX15EP300KDM4E
Hydrochloric Acid SCHEMBL2674531 0.89 SMN1; SMN2 (0.37) LMNACYP1A2CYP2D6ALOX15EP300
SCHEMBL6371362 0.89 KDM4E (0.41) CYP1A2CYP2D6ALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2674434 0.89 ALDH1A1 (0.39) LMNACYP1A2CYP2D6ALOX15EP300
Hydrochloric Acid SCHEMBL2673746 0.88 SMN1; SMN2 (0.41) LMNACYP1A2CYP2D6ALOX15KDM4E
SCHEMBL6371995 0.83 S1PR1 (0.33) LMNACYP1A2CYP2D6CYP3A4TSHR

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 8 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
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 PARP1 1/4885PDCD1 2046/4885CD274 2604/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 PARP1 1/4885PDCD1 2046/4885CD274 2604/4885

“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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