SCHEMBL3956359

SCHEMBL3956359

O=[N+]([O-])C=CNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 4/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
POLB P06746 2/20 0.54
FBP1 P09467 1/20 0.54
VCP P55072 1/20 0.54
DDX3X O00571 1/20 0.54
HTT P42858 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
NPC1 O15118 3/20 0.52
STAT1 P42224 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.49
CA12 O43570 1/20 0.48

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
SCHEMBL11887661 1.00 MAPT (0.54) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL14336441 0.82 MAPT (0.55) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL225469 0.81 MAPT (0.59) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL30385018 0.81 MAPT (0.59) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3958615 0.81 MAPT (0.57) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3957251 0.78 FBP1 (0.59) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL11445187 0.77 MAPT (0.68) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3954585 0.76 FBP1 (0.57) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3956338 0.76 FBP1 (0.57) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL394734 0.76 KMT2A (0.67) MAPTKMT2AALDH1A1MEN1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560473-B2 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. (CN) 2009-07-14 US disclosed
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2004-12-30 US disclosed
EP-1386908-A1 AMINE DERIVATIVE WITH POTASSIUM CHANNEL REGULATORY FUNCTION, ITS PREPARATION AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2004-02-04 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-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use KCNMA1, KCNA5, KCNA1 MAPT 2941/4885KMT2A 1749/4885ALDH1A1 428/4885

“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.