SCHEMBL12786136

SCHEMBL12786136

CCS(=O)(=O)c1ccc(Oc2ccc3[nH]c(-c4ccccn4)nc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.67
CBFB Q13951 2/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RUNX1 Q01196 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL1656395 0.84 GCK (0.79) GCKCBFB
SCHEMBL1656773 0.84 GCK (0.76) GCKCBFB
SCHEMBL1659191 0.83 GCK (0.75) GCKCBFB
SCHEMBL1657159 0.83 GCK (0.75) GCKCBFB
SCHEMBL1656662 0.83 GCK (0.67) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1656610 0.83 GCK (0.79) GCKCBFB
SCHEMBL1656346 0.83 GCK (0.71) GCKCBFBCYP1A2CYP3A4CYP2C9
SCHEMBL1657312 0.82 GCK (0.61) GCKCBFB
SCHEMBL1656688 0.82 GCK (0.81) GCK
SCHEMBL5071857 0.82 GCK (0.78) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885CBFB 1380/4885NPC1 1418/4885

“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.