SCHEMBL5533451

SCHEMBL5533451

NC(=O)c1cccc(N(N)C(=O)c2ccc(C3CCCCN3C(=O)O)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.42
PARP10 Q53GL7 1/20 0.42
OPRM1 P35372 5/20 0.36
OPRD1 P41143 5/20 0.36
OPRK1 P41145 4/20 0.36
CPT1A P50416 2/20 0.35
GRM5 P41594 1/20 0.35
RIPK1 Q13546 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1B Q92523 1/20 0.35
CFB P00751 2/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HTT P42858 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
BTK Q06187 1/20 0.33
AGTR2 P50052 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
SCHEMBL205260 0.76 HTT (0.42) OPRM1OPRD1OPRK1CPT1ARIPK1
SCHEMBL4968626 0.76 CFB (0.47) GRM5RIPK1CFBCCNCCDK8
SCHEMBL4968612 0.76 CFB (0.47) GRM5RIPK1CFBCCNCCDK8
SCHEMBL4966459 0.72 ALDH1A1 (0.43) PARP14PARP10RIPK1HTT
SCHEMBL4965759 0.71 RIPK1 (0.43) RIPK1CFBHTTHSP90AA1HSP90AB1
SCHEMBL26693398 0.71 PARP14 (0.57) PARP14PARP10CPT1ARIPK1CPT2
SCHEMBL4964480 0.69 RIPK1 (0.41) PARP14PARP10RIPK1CCNCCDK8
SCHEMBL6246105 0.69 RIPK1 (0.66) PARP14PARP10GRM5RIPK1HSP90AA1
SCHEMBL26985110 0.68 RIPK1 (0.41) GRM5RIPK1CFBCCNCCDK8
SCHEMBL27128622 0.68 RIPK1 (0.41) GRM5RIPK1CFBCCNCCDK8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2014-10-02 US disclosed
US-8697736-B2 1H-benzimidazole-4-carboxamides substituted with phenyl at the 2-position are potent PARP inhibitors ABBVIE INC. (US) 2014-04-15 US disclosed
WO-2012038751-A3 PROCESS FOR THE PURIFICATION OF AROMATIC DICARBOXYLIC ACID DAVY PROCESS TECHNOLOGY LIMITED (GB) 2012-05-10 WO disclosed
EP-1957477-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2011-12-07 EP disclosed
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-08-02 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-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP14 9/4885PARP10 13/4885OPRM1 3118/4885
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP14 9/4885PARP10 13/4885OPRM1 3188/4885

“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.