SCHEMBL3956322

SCHEMBL3956322

O=[N+]([O-])/C=[C]/Nc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
VCP P55072 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL3956325 1.00 TLR4 (0.48) TLR4TLR2VCPCYP11B1CYP11B2
SCHEMBL3963325 0.73 KDM4E (0.34) KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL3963324 0.73 KDM4E (0.34) KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL3956328 0.72 TLR4 (0.56) TLR4TLR2VCPCYP11B1CYP11B2
SCHEMBL578924 0.72 CYP11B1 (0.50) TLR4TLR2VCPCYP11B1CYP11B2
SCHEMBL3964257 0.71 VCP (0.49) TLR4TLR2VCPKMT2AMEN1
SCHEMBL3964261 0.71 VCP (0.49) TLR4TLR2VCPKMT2AMEN1
SCHEMBL3954727 0.71 GAA (0.51) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL3954731 0.71 GAA (0.51) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL196726 0.71

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 TLR4 1871/4885TLR2 2779/4885VCP 1922/4885

“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.