SCHEMBL3570586

SCHEMBL3570586

CC(NC(=O)C(=CNc1ccc(Cl)cc1)C(=O)c1ccccc1Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.47
NTSR1 P30989 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ITGA4 P13612 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR35 Q9HC97 1/20 0.40
RCE1 Q9Y256 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL13504575 1.00 GPR139 (0.47) GPR139NTSR1MEN1KMT2ALMNA
SCHEMBL13504604 0.89 ALDH1A1 (0.43) LMNANPC1RAB9APKMSMN1; SMN2
SCHEMBL3571714 0.89 ALDH1A1 (0.43) LMNANPC1RAB9APKMSMN1; SMN2
SCHEMBL3561695 0.84 MEN1 (0.40) GPR139MEN1KMT2ANPC1RAB9A
SCHEMBL13504606 0.84 MEN1 (0.40) GPR139MEN1KMT2ANPC1RAB9A
SCHEMBL3570944 0.82 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL13504569 0.82 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL3566394 0.79 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3566396 0.79 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13504645 0.77 HPGD (0.43) MEN1KMT2ALMNANPC1RAB9A

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 17 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
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-1494629-B1 CONDOM FUTURA MEDICAL DEV LTD (GB) 2007-02-14 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
EP-1379203-B1 CONDOM WITH AN ERECTOGENIC COMPOSITION FUTURA MEDICAL DEV LTD (GB) 2006-03-01 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
US-20050076916-A1 Condom FUTURA MEDICAL DEVELOPMENTS LIMITED (GB) 2005-04-14 US disclosed
EP-1494629-A2 CONDOM Futura Medical Developments Limited (GB) 2005-01-12 EP disclosed
US-6840244-B2 Condom with an erectogenic composition FUTURA MEDICAL DEVELOPMENTS LIMITED (GB) 2005-01-11 US disclosed
US-20040103902-A1 Condom with an erectogenic composition FUTURA MEDICAL DEVELOPMENT LIMITED (GB) 2004-06-03 US disclosed
EP-1379203-A1 CONDOM WITH AN ERECTOGENIC COMPOSITION Futura Medical Developments Limited (GB) 2004-01-14 EP disclosed
WO-2003088880-A2 CONDOM FUTURA MEDICAL DEVELOPMENTS LIMITED (GB) 2003-10-30 WO disclosed
WO-2002078580-A1 CONDOM WITH AN ERECTOGENIC COMPOSITION FUTURA MEDICAL DEVELOPMENTS LIMITED (GB) 2002-10-10 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 GPR139 395/4885NTSR1 152/4885MEN1 2446/4885

“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.