SCHEMBL3566739

SCHEMBL3566739

CC(C)NC(=O)/C(=C\Nc1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PTGS2 P35354 1/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL3566743 1.00 HTT (0.45) HTTNPSR1MAPTSMN1; SMN2LMNA
SCHEMBL13504604 0.85 ALDH1A1 (0.43) SMN1; SMN2LMNACA1CA2CA4
SCHEMBL3571714 0.85 ALDH1A1 (0.43) SMN1; SMN2LMNACA1CA2CA4
SCHEMBL14972798 0.83 KMT2A (0.48) HTTNPSR1MAPTSMN1; SMN2LMNA
SCHEMBL14972799 0.83 KMT2A (0.48) HTTNPSR1MAPTSMN1; SMN2LMNA
SCHEMBL3570586 0.76 GPR139 (0.47) NPSR1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL13504575 0.76 GPR139 (0.47) NPSR1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL9873320 0.76 DHODH (0.59) NPSR1MAPTSMN1; SMN2NPY1RNPY2R
SCHEMBL13504606 0.74 MEN1 (0.40) SMN1; SMN2CES2CES1KMT2AMEN1
SCHEMBL3561695 0.74 MEN1 (0.40) SMN1; SMN2CES2CES1KMT2AMEN1

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 HTT 1913/4885NPSR1 81/4885MAPT 1159/4885

“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.