SCHEMBL2646749

SCHEMBL2646749

CS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2cccnc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
NFE2L2 Q16236 2/20 0.33
SLC6A4 P31645 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IKBKB O14920 1/20 0.32
PIK3CD O00329 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL2647146 0.89 BACE1 (0.34) GCKBACE1BACE2NFE2L2CA12
SCHEMBL2645388 0.86 MAPT (0.40) GCKMAPT
SCHEMBL2645022 0.84 TRPV4 (0.39) GCKNFE2L2IKBKB
SCHEMBL2645721 0.84 ALDH1A1 (0.36) GCKNFE2L2CA12CA1CA2
SCHEMBL2644241 0.83 BACE1 (0.36) GCKBACE1BACE2SLC6A4CA12
SCHEMBL2645208 0.81 PTGS1 (0.41) GCKNFE2L2SLC6A4
SCHEMBL2645089 0.81 NFE2L2 (0.43) GCKNFE2L2CYP1A2CYP2C19
SCHEMBL2644626 0.79 POLB (0.44)
SCHEMBL2646317 0.77 GCK (0.53) GCK
SCHEMBL2645950 0.76 GCK (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 GCK 1/4885BACE1 1735/4885BACE2 2119/4885

“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.