SCHEMBL3453445

SCHEMBL3453445

Cc1cc(CC(=O)Nc2ccccn2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
GAA P10253 1/20 0.55
VHL P40337 1/20 0.53
POLB P06746 2/20 0.53
ESR1 P03372 1/20 0.53
STAT3 P40763 1/20 0.53
ESR2 Q92731 1/20 0.53
P2RX7 Q99572 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PKM P14618 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
BUB1 O43683 1/20 0.49

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
SCHEMBL3452361 0.81 VHL (0.58) SMN1; SMN2NPC1RAB9AVHLP2RX7
SCHEMBL24586187 0.78 VHL (0.56) VHL
SCHEMBL3454826 0.77 VHL (0.57) SMN1; SMN2NPC1RAB9AVHLPOLB
SCHEMBL8404775 0.76 KMT2A (0.64) SMN1; SMN2NPC1GAAVHLPOLB
SCHEMBL3452338 0.75 TP53 (0.63) SMN1; SMN2NPC1RAB9AVHLPKM
SCHEMBL21348805 0.75 HPGD (0.59) SMN1; SMN2NPC1RAB9AVHLKMT2A
SCHEMBL14310605 0.74 VHL (0.69) SMN1; SMN2VHLPOLBP2RX7KMT2A
SCHEMBL3452626 0.73 VHL (0.56) SMN1; SMN2NPC1RAB9AGAAVHL
SCHEMBL3453689 0.73 VHL (0.56) SMN1; SMN2NPC1RAB9AGAAVHL
SCHEMBL6245092 0.73 GAA (1.00) SMN1; SMN2NPC1RAB9AGAAPOLB

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 SMN1; SMN2 553/4885NPC1 1996/4885RAB9A 1092/4885

“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.