SCHEMBL2646047

SCHEMBL2646047

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.36
HSPB1 P04792 4/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PDE7A Q13946 1/20 0.34
PTPN1 P18031 1/20 0.34
PIN1 Q13526 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 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
SCHEMBL2644208 0.89 MAPT (0.43) MAPTALDH1A1LMNAGAAHSPB1
SCHEMBL2646046 0.85 NR1H2 (0.38) MAPTALDH1A1LMNAGAAHSPB1
SCHEMBL2645865 0.83 PTPN1 (0.43) MAPTALDH1A1LMNAHSPB1MEN1
SCHEMBL2645062 0.81 MAPT (0.34) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL2645604 0.79 MAPT (0.41) MAPTALDH1A1LMNAGAAHSPB1
SCHEMBL2644525 0.79 PIN1 (0.48) MAPTGAAPOLBPIN1
SCHEMBL2646431 0.79 SLC6A4 (0.43) MAPTALDH1A1LMNAHSPB1MEN1
SCHEMBL2646764 0.78 MEN1 (0.38) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL2646277 0.77 MAPK14 (0.37) MEN1KMT2A
SCHEMBL2644830 0.77 MAPT (0.45) MAPTALDH1A1LMNAGAAHSPB1

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 3676/4885ALDH1A1 1188/4885LMNA 3434/4885

“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.