SCHEMBL2644356

SCHEMBL2644356

CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2cc(F)ccc2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.39
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
GCK P35557 2/20 0.34
SCN9A Q15858 4/20 0.33
BRD4 O60885 4/20 0.33
SCN5A Q14524 3/20 0.33
PPARG P37231 1/20 0.33
SGK1 O00141 1/20 0.33
TRPA1 O75762 1/20 0.32
SLC6A4 P31645 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL2644608 0.91 TRPA1 (0.41) CACNA1CBRD4TRPA1
SCHEMBL2645796 0.90 MAPT (0.39) GCK
SCHEMBL2644241 0.89 BACE1 (0.36) CACNA1CBACE1BACE2SLC22A12GCK
SCHEMBL2645572 0.87 CACNA1C (0.36) CACNA1CBACE1BACE2SLC22A12GCK
SCHEMBL2647005 0.86 EGLN1 (0.39) CACNA1CSLC22A12GCKSCN9APPARG
SCHEMBL2647146 0.83 BACE1 (0.34) BACE1BACE2GCKSCN9ACA12
SCHEMBL2645285 0.83 GCK (0.35) CACNA1CSLC22A12GCK
SCHEMBL2644698 0.79 NFE2L2 (0.36) GCKSCN9A
SCHEMBL2645858 0.78 POLB (0.42) SLC22A12SCN9A
SCHEMBL2645388 0.78 MAPT (0.40) SLC22A12GCKBRD4SGK1

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 CACNA1C 3151/4885BACE1 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.