SCHEMBL3963190

SCHEMBL3963190

NC(=C[N+](=O)[O-])c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NAPRT Q6XQN6 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.38
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 4/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL5067640 0.80 MAPT (0.49) L3MBTL1MAPTALDH1A1CYP3A4CYP2C19
SCHEMBL5067634 0.80 MAPT (0.49) L3MBTL1MAPTALDH1A1CYP3A4CYP2C19
SCHEMBL8626889 0.80 MAPT (0.49) L3MBTL1MAPTALDH1A1CYP3A4CYP2C19
SCHEMBL11362439 0.79 F7 (0.53) MAPTALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL11362070 0.73 CA1 (0.52) L3MBTL1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL11362074 0.73 CA1 (0.52) L3MBTL1MAPTALDH1A1NPC1SMN1; SMN2
Nitromethane SCHEMBL18640330 0.71 TSHR (0.52) L3MBTL1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL13618861 0.70 NAPRT (0.42) L3MBTL1MAPTALDH1A1SMN1; SMN2NAPRT
SCHEMBL4711728 0.69 NAPRT (0.43) L3MBTL1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL4067060 0.69 ALDH1A1 (0.40) L3MBTL1MAPTALDH1A1SMN1; SMN2KDM4E

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 L3MBTL1 2902/4885MAPT 2941/4885ALDH1A1 428/4885

“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.