SCHEMBL12426372

SCHEMBL12426372

O=C/C(=C\Nc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.54
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 6/20 0.46
KMT2A Q03164 6/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 6/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 4/20 0.42
HTT P42858 1/20 0.42
GAA P10253 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
FBP1 P09467 2/20 0.37

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
SCHEMBL14159479 1.00 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP1A2CYP2C19MAPT
SCHEMBL20037167 0.84 SMN1; SMN2 (0.53) SMN1; SMN2PKMCYP1A2CYP2C19MAPT
SCHEMBL3583189 0.79 TRPV1 (0.44) SMN1; SMN2PKMCYP1A2CYP2C19MAPT
SCHEMBL3583186 0.79 TRPV1 (0.44) SMN1; SMN2PKMCYP1A2CYP2C19MAPT
SCHEMBL2812134 0.78 KMT2A (0.50) SMN1; SMN2MAPTKMT2AALDH1A1NPC1
SCHEMBL10327789 0.78 KMT2A (0.50) SMN1; SMN2MAPTKMT2AALDH1A1NPC1
SCHEMBL2812135 0.78 KMT2A (0.50) SMN1; SMN2MAPTKMT2AALDH1A1NPC1
SCHEMBL2813556 0.78 MAPT (0.45) SMN1; SMN2CYP1A2CYP2C19MAPTKMT2A
SCHEMBL2813557 0.78 MAPT (0.45) SMN1; SMN2CYP1A2CYP2C19MAPTKMT2A
SCHEMBL10328177 0.78 MAPT (0.45) SMN1; SMN2CYP1A2CYP2C19MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP SMN1; SMN2 403/4885PKM 1002/4885CYP1A2 586/4885

“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.