SCHEMBL1657441

SCHEMBL1657441

CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2C=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.53
CBFB Q13951 5/20 0.53
RUNX1 Q01196 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL2294207 0.91 CBFB (0.53) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2293097 0.90 GCK (0.42) GCKCBFB
SCHEMBL1656662 0.88 GCK (0.67) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2644621 0.88 GCK (0.57) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL1656653 0.86 GCK (0.60) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2644799 0.85 GCK (0.54) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL1657389 0.85 GCK (0.57) GCKCBFB
SCHEMBL2645623 0.84 GCK (0.54) GCKCBFBRUNX1NPC1RAB9A
SCHEMBL2644457 0.84 GCK (0.54) GCKCBFB
SCHEMBL2646067 0.84 GCK (0.53) GCKCBFBRUNX1NPC1RAB9A

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-1905769-B1 HETEROCYCLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2017-03-29 EP disclosed
EP-1810969-B1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES MSD KK (JP) 2013-08-07 EP disclosed
US-7994331-B2 Heterocycle-substituted benzimidazole derivative MSD K.K. (JP) 2011-08-09 US disclosed
US-7932394-B2 1-{[5-[4-(Methylsulfonyl)phenoxy]-2-(2-pyridinyl)-1H-benzimidazol-6-yl]methyl}-5-thioxo-2-pyrrolidinone;glucokinase activator; antidiabetic agents; obesity; prevention of retinopathy, nephropathy, neurosis, ischemic cardiopathy, arteriosclerosis; antiischemic agents; cardiotonic agents MSD K.K. (JP) 2011-04-26 US disclosed
US-20100087360-A1 Heterocycle-substituted benzimidazole derivative MSD K.K. (JP) 2010-04-08 US disclosed
US-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1905769-A1 HETEROCYCLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-02 EP disclosed
EP-1810969-A1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 EP 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-20100087360-A1 Heterocycle-substituted benzimidazole derivative GCK, GCKR, HK1 GCK 1/4885CBFB 2061/4885RUNX1 1096/4885
US-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives GCK, GCKR, SLC5A1 GCK 1/4885CBFB 1380/4885RUNX1 3149/4885

“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.