SCHEMBL2646431

SCHEMBL2646431

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
PTPN1 P18031 1/20 0.43
HSPB1 P04792 2/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PDE7A Q13946 1/20 0.41
LMNA P02545 2/20 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
KDM4E B2RXH2 1/20 0.38
MLNR O43193 1/20 0.38
MMP1 P03956 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL2645865 0.95 PTPN1 (0.43) SLC6A4PTPN1HSPB1MAPTALDH1A1
SCHEMBL2644788 0.88 MAPT (0.45) PTPN1HSPB1MAPTALDH1A1MEN1
SCHEMBL2645373 0.85 ALDH1A1 (0.42) SLC6A4PTPN1HSPB1MAPTALDH1A1
SCHEMBL2644830 0.82 MAPT (0.45) PTPN1HSPB1MAPTALDH1A1MEN1
SCHEMBL1872393 0.81 CRHBP (0.45) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL10521536 0.80 ALDH1A1 (0.45) SLC6A4PTPN1HSPB1MAPTALDH1A1
SCHEMBL2646047 0.79 MAPT (0.39) PTPN1HSPB1MAPTALDH1A1MEN1
SCHEMBL2644629 0.78 ALDH1A1 (0.48) SLC6A4HSPB1MAPTALDH1A1MEN1
SCHEMBL15155950 0.76 HSPB1 (0.64) PTPN1HSPB1MAPTALDH1A1MEN1
SCHEMBL5028707 0.75 TDP1 (0.57) SLC6A4HSPB1MAPTALDH1A1MEN1

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 SLC6A4 1054/4885PTPN1 2518/4885HSPB1 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.