SCHEMBL2645604

SCHEMBL2645604

CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
HSPB1 P04792 2/20 0.38
PTPN1 P18031 1/20 0.37
PIN1 Q13526 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ALDH3A1 P30838 1/20 0.34
EPAS1 Q99814 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL1038407 0.82 MEN1 (0.41) MAPTALDH1A1GAAPIN1
SCHEMBL2646047 0.79 MAPT (0.39) MAPTLMNAHTTALDH1A1GAA
SCHEMBL564681 0.78 MAPT (0.43) MAPTLMNAHTTALDH1A1KDM4E
SCHEMBL564672 0.76 ALDH1A1 (0.36) MAPTLMNAHTTALDH1A1PIN1
SCHEMBL2646046 0.76 NR1H2 (0.38) MAPTLMNAHTTALDH1A1GAA
SCHEMBL563690 0.75 HSPB1 (0.49) MAPTLMNAHTTALDH1A1HSPB1
SCHEMBL1677224 0.74 GPR119 (0.33)
SCHEMBL2645356 0.74 MAPT (0.44) MAPTLMNAHTTALDH1A1GAA
SCHEMBL3552351 0.73 MAPT (0.40) MAPTLMNAHTTALDH1A1HSPB1
SCHEMBL1039005 0.72 CYP19A1 (0.43) MAPTPIN1

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 MAPT 3676/4885LMNA 3434/4885HTT 1433/4885

“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.