SCHEMBL1657673

SCHEMBL1657673

CCS(=O)(=O)c1ccc(Oc2cc(Cc3ccccc3C(N)=O)c3nc(-c4ccccn4)[nH]c3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.45
PARP1 P09874 1/20 0.40
DHODH Q02127 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CBFB Q13951 3/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RUNX1 Q01196 1/20 0.36
CHEK2 O96017 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
SCHEMBL1657249 0.93 GCK (0.47) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1656692 0.87 GCK (0.44) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1657541 0.87 GCK (0.45) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1657346 0.84 GCK (0.43) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1656745 0.83 GCK (0.45) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2644976 0.83 GCK (0.42) GCKPARP1DHODHPARP2CBFB
SCHEMBL1656441 0.83 GCK (0.44) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2646318 0.83 CBFB (0.46) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1657058 0.82 GCK (0.45) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1656493 0.82 GCK (0.45) GCKCBFBNPC1RAB9ARUNX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1810969-B1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES MSD KK (JP) 2013-08-07 EP 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-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US 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 (1 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-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives GCK, GCKR, SLC5A1 GCK 1/4885PARP1 2048/4885DHODH 4367/4885

“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.