SCHEMBL3956338

SCHEMBL3956338

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.57
MAPT P10636 6/20 0.52
POLB P06746 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 2/20 0.51
PKM P14618 2/20 0.51
PAX8 Q06710 1/20 0.51
TP53 P04637 2/20 0.49
AKR1C3 P42330 5/20 0.47
AKR1C4 P17516 4/20 0.47
AKR1C2 P52895 4/20 0.47
AKR1C1 Q04828 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
AR P10275 1/20 0.47

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
SCHEMBL3956359 0.76 MAPT (0.54) FBP1MAPTPOLBMEN1KMT2A
SCHEMBL11887661 0.76 MAPT (0.54) FBP1MAPTPOLBMEN1KMT2A
SCHEMBL28211098 0.76 MAPT (0.57) FBP1MAPTPOLBMEN1KMT2A
SCHEMBL171243 0.75 RAB9A (0.55) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL6651221 0.75 RAB9A (0.52) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3956334 0.75 MAPT (0.50) FBP1MAPTPOLBMEN1KMT2A
SCHEMBL3956332 0.75 MAPT (0.50) FBP1MAPTPOLBMEN1KMT2A
SCHEMBL3957251 0.74 FBP1 (0.59) FBP1MAPTPOLBMEN1KMT2A
SCHEMBL12170965 0.74 NPC1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7827259 0.73 FBP1 (1.00) FBP1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970735-A The salt and crystal form of compound 诺华公司 2019-07-05 CN disclosed
CN-106045993-A Salt and crystal form of compound 诺华股份有限公司 2016-10-26 CN disclosed
CN-102372711-B Imidazo quinoline PI3K and mTOR (mammalian target of rapamycin) dual inhibitor KBP BIOSCIENCES CO LTD 2014-09-17 CN disclosed
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 FBP1 2146/4885MAPT 2941/4885POLB 2993/4885

“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.