SCHEMBL3964261

SCHEMBL3964261

O=[N+]([O-])C=[C]c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.49
CYP2A6 P11509 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2E1 P05181 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3964257 1.00 VCP (0.49) VCPCYP2A6LMNAHTTMAPT
SCHEMBL3959576 0.77 MAPT (0.40) VCPMAPTALDH1A1TLR4TLR2
SCHEMBL3959578 0.77 MAPT (0.40) VCPMAPTALDH1A1TLR4TLR2
SCHEMBL11858113 0.77 FBP1 (0.43) LMNAHTTMAPTALDH1A1MEN1
SCHEMBL3956325 0.71 TLR4 (0.48) VCPMAPTALDH1A1MEN1KMT2A
SCHEMBL3956322 0.71 TLR4 (0.48) VCPMAPTALDH1A1MEN1KMT2A
SCHEMBL3963701 0.70 KDM4E (0.37) LMNAMAPTMEN1KMT2ACYP2C19
SCHEMBL3963703 0.70 KDM4E (0.37) LMNAMAPTMEN1KMT2ACYP2C19
SCHEMBL29463713 0.69
SCHEMBL38181 0.69

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 VCP 1922/4885CYP2A6 1459/4885LMNA 489/4885

“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.