SCHEMBL6370933

SCHEMBL6370933

CCc1[nH]c(=O)c(CC)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
PDE10A Q9Y233 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GALR3 O60755 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL2674216 0.83 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2674288 0.79 PDE3B (0.49) PDE3BPDE3A
SCHEMBL30112562 0.75 BACE1 (0.44) SMN1; SMN2MAPTTP53L3MBTL1ADORA3
SCHEMBL4529436 0.71 SMN1; SMN2 (0.38) SMN1; SMN2HPGDTP53L3MBTL1ADORA3
SCHEMBL22185884 0.69 GSTP1 (0.42) KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL17859651 0.69 KDM4E (0.53) KDM4ESMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL11100684 0.69 BRD4 (0.42) PDE3BPDE3AGAA
SCHEMBL11106121 0.69 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL27747970 0.68 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1HPGDL3MBTL1
SCHEMBL11109509 0.68 ALDH1A1 (0.53) PDE10AKDM4EALDH1A1L3MBTL1GAA

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 PDE3B 850/4885PDE3A 864/4885PDE10A 2650/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 PDE3B 850/4885PDE3A 864/4885PDE10A 2650/4885

“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.