SCHEMBL2644525

SCHEMBL2644525

CS(=O)(=O)c1ccc(Oc2cc([N+](=O)[O-])c(N)cc2Oc2ccccc2C#N)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.48
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
SLC22A12 Q96S37 7/20 0.37
MAPT P10636 1/20 0.35
LRRK2 Q5S007 1/20 0.35
BRD4 O60885 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
MERTK Q12866 1/20 0.34
SCN9A Q15858 3/20 0.34

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
SCHEMBL2644626 0.89 POLB (0.44) PIN1POLBGAASLC22A12LRRK2
SCHEMBL2646764 0.87 MEN1 (0.38) PIN1GAASLC22A12MAPTLRRK2
SCHEMBL2647119 0.80 POLB (0.38) PIN1POLBGAASLC22A12LRRK2
SCHEMBL2645858 0.79 POLB (0.42) PIN1POLBGAASLC22A12LRRK2
SCHEMBL2645062 0.79 MAPT (0.34) PIN1GAAMAPT
SCHEMBL2646047 0.79 MAPT (0.39) PIN1POLBGAAMAPT
SCHEMBL2645721 0.75 ALDH1A1 (0.36) SLC22A12
SCHEMBL2644920 0.75 POLB (0.52) POLBGAASLC22A12MAPTBRD4
SCHEMBL2645208 0.73 PTGS1 (0.41) SCN9A
SCHEMBL2645388 0.73 MAPT (0.40) PIN1SLC22A12MAPTBRD4

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 PIN1 4516/4885POLB 3730/4885GAA 86/4885

“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.