SCHEMBL4982385

SCHEMBL4982385

COC(=O)c1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.55
BCL9 O00512 9/20 0.53
CTNNB1 P35222 9/20 0.53
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
HTT P42858 1/20 0.44
USP30 Q70CQ3 1/20 0.44
CYP2C19 P33261 1/20 0.43
DPP4 P27487 1/20 0.42

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
SCHEMBL4968602 0.91 PDE4B (0.55) PDE4BBCL9CTNNB1SMN1; SMN2NPC1
SCHEMBL206142 0.83 TMEM97 (0.52)
SCHEMBL4967792 0.83 MYC (0.42) PDE4B
SCHEMBL5518141 0.83 MYC (0.42) PDE4B
SCHEMBL31056879 0.83 TMEM97 (0.44) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL31386180 0.81 PDE4B (0.52) PDE4BBCL9CTNNB1JAK2JAK1
SCHEMBL8248090 0.81 TMEM97 (0.55)
SCHEMBL29087342 0.80 SMN1; SMN2 (0.59) PDE4BBCL9CTNNB1SMN1; SMN2NPC1
SCHEMBL4030092 0.79 BCL9 (0.58) PDE4BBCL9CTNNB1SMN1; SMN2NPC1
SCHEMBL4031116 0.78 BCL9 (0.57) PDE4BBCL9CTNNB1SMN1; SMN2NPC1

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 PDE4B 1613/4885BCL9 590/4885CTNNB1 2666/4885
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PDE4B 1612/4885BCL9 606/4885CTNNB1 2656/4885

“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.