SCHEMBL3570778

SCHEMBL3570778

C#Cc1ccc(NC=C(C(=O)NCCC)C(=O)c2c(Cl)ccc3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NCEH1 Q6PIU2 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
ESRRA P11474 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL3564394 0.85 EPHX1 (0.39) EPHX1GAAALDH1A1HTTMEN1
SCHEMBL3569435 0.83 HPGD (0.40) KDM4ENPSR1GAAALDH1A1CYP2C9
SCHEMBL3569433 0.83 HPGD (0.40) KDM4ENPSR1GAAALDH1A1CYP2C9
SCHEMBL3570774 0.79 EPHX1 (0.35) EPHX1KDM4ENPSR1GAAALDH1A1
SCHEMBL3566397 0.77 DHODH (0.38) KDM4ENPSR1GAAALDH1A1HTT
SCHEMBL3566399 0.77 DHODH (0.38) KDM4ENPSR1GAAALDH1A1HTT
SCHEMBL3574762 0.75 HPGD (0.40) KDM4EGAAALDH1A1HTTTAS1R3
SCHEMBL3574760 0.75 HPGD (0.40) KDM4EGAAALDH1A1HTTTAS1R3
SCHEMBL3568369 0.73 HPGD (0.43) MEN1KMT2A
SCHEMBL13504645 0.73 HPGD (0.43) MEN1KMT2A

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 6 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 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 EPHX1 1565/4885KDM4E 2424/4885NPSR1 81/4885

“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.