SCHEMBL4968612

SCHEMBL4968612

O=C(O)c1ccc([C@H]2CCCCN2C(=O)O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFB P00751 2/20 0.47
RIPK1 Q13546 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
GRM5 P41594 1/20 0.39
ACMSD Q8TDX5 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD11B1 P28845 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4968626 1.00 CFB (0.47) CFBRIPK1HSP90AA1HSP90AB1CCNC
SCHEMBL4965759 0.86 RIPK1 (0.43) CFBRIPK1HSP90AA1HSP90AB1POLB
SCHEMBL4964480 0.84 RIPK1 (0.41) RIPK1HSP90AA1HSP90AB1CCNCCDK8
SCHEMBL27128622 0.82 RIPK1 (0.41) CFBRIPK1HSP90AA1HSP90AB1CCNC
SCHEMBL26985216 0.82 RIPK1 (0.41) CFBRIPK1HSP90AA1HSP90AB1CCNC
SCHEMBL26985110 0.82 RIPK1 (0.41) CFBRIPK1HSP90AA1HSP90AB1CCNC
SCHEMBL4968298 0.81 SIGMAR1 (0.60) TMEM97SIGMAR1
SCHEMBL4968809 0.80 RIPK1 (0.47) CFBRIPK1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL4968813 0.80 RIPK1 (0.47) CFBRIPK1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL29892279 0.80 CCNC (0.51) RIPK1CCNCCDK8HSD11B1SMN1; SMN2

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
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
EP-1957477-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2008-08-20 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
WO-2007041357-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-04-12 WO 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 CFB 3585/4885RIPK1 1869/4885HSP90AA1 1509/4885
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 CFB 3592/4885RIPK1 1781/4885HSP90AA1 1507/4885

“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.