SCHEMBL3452522

SCHEMBL3452522

O=C(Cc1ccccn1)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 1/20 0.62
HPGD P15428 4/20 0.61
ALDH1A1 P00352 3/20 0.61
THRB P10828 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.48
IDO1 P14902 1/20 0.48
GRM4 Q14833 1/20 0.48
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL28950037 0.94 RAB9A (0.56) RAB9ANPC1HPGDALDH1A1THRB
SCHEMBL10907362 0.83 IDO1 (0.51) RAB9ANPC1HPGDALDH1A1THRB
SCHEMBL17985011 0.81 KDM4E (0.60) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL7981204 0.80 CTNNB1 (0.60) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL3452459 0.80 RAB9A (0.62) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL15942043 0.80 RAB9A (0.54) RAB9ANPC1HPGDALDH1A1POLB
Iodide SCHEMBL6263376 0.80 KDM4E (0.59) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL24760921 0.80 ERCC5 (0.44) RAB9ANPC1HPGDALDH1A1THRB
SCHEMBL27332292 0.79 NAPRT (0.54) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL11623530 0.78 RAB9A (0.51) RAB9ANPC1HPGDALDH1A1POLB

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 1092/4885NPC1 1996/4885HPGD 2330/4885

“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.