SCHEMBL3561695

SCHEMBL3561695

CCC(C)NC(=O)C(=CNc1ccc(Cl)cc1)C(=O)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 4/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP11B1 P15538 1/20 0.37
HPGD P15428 2/20 0.36
DHODH Q02127 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
POLB P06746 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL13504606 1.00 MEN1 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13504604 0.89 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1CES2
SCHEMBL3571714 0.89 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1CES2
SCHEMBL13504575 0.84 GPR139 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3570586 0.84 GPR139 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3566396 0.84 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1CES2
SCHEMBL3566394 0.84 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1CES2
SCHEMBL13504569 0.82 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1CES2
SCHEMBL3570944 0.82 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1CES2
SCHEMBL13504645 0.82 HPGD (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742904-B1 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2012-10-31 EP claimed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US claimed
JP-2007536262-A 2007-12-13 JP claimed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP claimed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP claimed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 WO claimed
EP-1742904-B1 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2012-10-31 EP disclosed
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US disclosed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US disclosed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP disclosed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP disclosed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 MEN1 2446/4885KMT2A 3043/4885SMN1; SMN2 809/4885

“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.