SCHEMBL2647005

SCHEMBL2647005

CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2cccc(F)c2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
TRPA1 O75762 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
PPARG P37231 1/20 0.35
BTK Q06187 4/20 0.33
GCK P35557 3/20 0.33
CDK8 P49336 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
SCN9A Q15858 2/20 0.33
AKR1B1 P15121 1/20 0.32
TNK2 Q07912 1/20 0.32
CACNA1C Q13936 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
SCHEMBL2645796 0.91 MAPT (0.39) GCKCDK8
SCHEMBL2645285 0.89 GCK (0.35) SLC22A12GCKCDK8CACNA1C
SCHEMBL2643976 0.88 EGLN1 (0.35) EGLN1TRPA1SLC22A12PPARGBTK
SCHEMBL2644356 0.86 CACNA1C (0.39) TRPA1SLC22A12PPARGGCKSCN9A
SCHEMBL2644608 0.86 TRPA1 (0.41) TRPA1CACNA1C
SCHEMBL2647146 0.85 BACE1 (0.34) GCKSCN9A
SCHEMBL2644664 0.82 GCK (0.32) EGLN1GCKCDK8
SCHEMBL2644698 0.80 NFE2L2 (0.36) GCKSCN9A
SCHEMBL2645388 0.80 MAPT (0.40) SLC22A12GCKCDK8
SCHEMBL2645858 0.80 POLB (0.42) SLC22A12SCN9A

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 EGLN1 1839/4885TRPA1 4353/4885SLC22A12 856/4885

“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.