SCHEMBL2646046

SCHEMBL2646046

CS(=O)(=O)c1ccc(Oc2cc([N+](=O)[O-])c(C(N)=O)cc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN9A Q15858 1/20 0.36
BRD4 O60885 1/20 0.35
PDE4B Q07343 3/20 0.34
CSF1R P07333 1/20 0.34
GAA P10253 1/20 0.34
ALDH3A1 P30838 1/20 0.34
PKM P14618 1/20 0.33
HSPB1 P04792 1/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 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
SCHEMBL2644513 0.90 MAPT (0.36) NR1H2NR1H3MAPTALDH1A1MITF
SCHEMBL2646047 0.85 MAPT (0.39) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2645604 0.76 MAPT (0.41) MAPTALDH1A1LMNAHTTGAA
SCHEMBL2644208 0.75 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6573522 0.73 MAPT (0.44) MAPTALDH1A1MITFLMNAHTT
SCHEMBL2646277 0.72 MAPK14 (0.37) SCN9ABRD4
SCHEMBL2645356 0.71 MAPT (0.44) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL564681 0.71 MAPT (0.43) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2646044 0.70 GCK (0.31)
SCHEMBL1035869 0.70 GPR119 (0.35) SCN9A

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 NR1H2 847/4885NR1H3 1055/4885MAPT 3676/4885

“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.