SCHEMBL3956334

SCHEMBL3956334

O=C(O)c1cccc(N[C]=C[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
PAX8 Q06710 1/20 0.50
FBP1 P09467 1/20 0.49
TP53 P04637 1/20 0.47
AKR1C3 P42330 5/20 0.46
AKR1C4 P17516 4/20 0.46
AKR1C2 P52895 4/20 0.46
AKR1C1 Q04828 4/20 0.46
AR P10275 1/20 0.46
POLB P06746 1/20 0.43
AKR1B1 P15121 2/20 0.43
AKR1B10 O60218 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RHOA P61586 1/20 0.43
MYC P01106 1/20 0.43
HCAR3 P49019 1/20 0.43

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
SCHEMBL3956332 1.00 MAPT (0.50) MAPTNPC1RAB9APKMPAX8
SCHEMBL3956355 0.77 KMT2A (0.53) MAPTNPC1RAB9AFBP1POLB
SCHEMBL3956358 0.77 KMT2A (0.53) MAPTNPC1RAB9AFBP1POLB
SCHEMBL3953898 0.76 AKR1C3 (0.45) MAPTNPC1RAB9APKMAKR1C3
SCHEMBL6651219 0.76 AKR1C3 (0.45) MAPTNPC1RAB9APKMAKR1C3
SCHEMBL3957248 0.75 FBP1 (0.50) MAPTFBP1MEN1KMT2A
SCHEMBL3956338 0.75 FBP1 (0.57) MAPTNPC1RAB9APKMPAX8
SCHEMBL3957246 0.75 FBP1 (0.50) MAPTFBP1MEN1KMT2A
SCHEMBL28211098 0.74 MAPT (0.57) MAPTNPC1RAB9APKMPAX8
SCHEMBL2444355 0.74 AKR1C3 (0.53) MAPTNPC1RAB9APKMAKR1C3

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 2941/4885NPC1 3722/4885RAB9A 2137/4885

“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.