SCHEMBL2645865

SCHEMBL2645865

CS(=O)(=O)c1ccc(Oc2cc([N+](=O)[O-])c(N)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
SLC6A4 P31645 1/20 0.43
HSPB1 P04792 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE7A Q13946 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ALDH3A1 P30838 2/20 0.39
VCAM1 P19320 1/20 0.39
SCN9A Q15858 1/20 0.39
PTGS2 P35354 3/20 0.38

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
SCHEMBL2646431 0.95 SLC6A4 (0.43) PTPN1SLC6A4HSPB1ALDH1A1MAPT
SCHEMBL2644830 0.88 MAPT (0.45) PTPN1HSPB1ALDH1A1MAPTMEN1
SCHEMBL2646047 0.83 MAPT (0.39) PTPN1HSPB1ALDH1A1MAPTMEN1
SCHEMBL2644788 0.82 MAPT (0.45) PTPN1HSPB1ALDH1A1MAPTMEN1
SCHEMBL2645373 0.82 ALDH1A1 (0.42) PTPN1SLC6A4HSPB1ALDH1A1MAPT
SCHEMBL2644208 0.77 MAPT (0.43) PTPN1HSPB1ALDH1A1MAPTMEN1
SCHEMBL10521536 0.77 ALDH1A1 (0.45) PTPN1SLC6A4HSPB1ALDH1A1MAPT
SCHEMBL1872393 0.75 CRHBP (0.45) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9632953 0.75 RAB9A (0.46) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5028707 0.75 TDP1 (0.57) SLC6A4HSPB1ALDH1A1MAPTMEN1

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 PTPN1 2518/4885SLC6A4 1054/4885HSPB1 3024/4885

“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.