SCHEMBL3452956

SCHEMBL3452956

CN(C)/C=C(/C(=O)Nc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 5/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 4/20 0.41
CYP19A1 P11511 2/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL3452959 1.00 RAB9A (0.56) RAB9AL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL3559979 0.83 CES2 (0.52) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL4291907 0.80 RAB9A (0.48) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL4291901 0.80 RAB9A (0.48) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL7383383 0.78 ALDH1A1 (0.58) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL5318227 0.78 ALDH1A1 (0.58) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL13108901 0.78 KMT2A (0.50) RAB9AL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL3452681 0.78 KMT2A (0.50) RAB9AL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL3452683 0.78 KMT2A (0.50) RAB9AL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL1081432 0.78 ALDH1A1 (0.45) RAB9AKMT2ALMNAALDH1A1MEN1

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-1896394-B1 SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2013-05-29 EP disclosed
US-7820663-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-26 US disclosed
EP-1896394-A1 SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS The Regents of the University of California (US) 2008-03-12 EP disclosed
US-20060293329-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2006-12-28 US disclosed
WO-2006138510-A1 SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-28 WO 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-20060293329-A1 Substituted enaminones, their derivatives and uses thereof CHRNA7, CHRNA5, CHRNA1 RAB9A 1092/4885L3MBTL1 2808/4885KMT2A 2273/4885

“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.