SCHEMBL3956355

SCHEMBL3956355

O=[N+]([O-])/C=[C]/Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
MAPT P10636 4/20 0.53
POLB P06746 3/20 0.53
DDX3X O00571 1/20 0.53
HTT P42858 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
MMP2 P08253 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
FBP1 P09467 1/20 0.45
VCP P55072 1/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL3956358 1.00 KMT2A (0.53) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL3958612 0.81 KMT2A (0.50) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL3958613 0.81 KMT2A (0.50) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL225468 0.80 KMT2A (0.59) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL3957246 0.78 FBP1 (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL3957248 0.78 FBP1 (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL8824727 0.78 KMT2A (0.57) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL3956334 0.77 MAPT (0.50) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL3954584 0.77 KIF11 (0.52) KMT2AMEN1MAPTHTTLMNA
SCHEMBL3956332 0.77 MAPT (0.50) KMT2AMEN1MAPTPOLBNPC1

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 KMT2A 1749/4885MEN1 2054/4885MAPT 2941/4885

“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.