SCHEMBL3568973

SCHEMBL3568973

CCOC(=O)/C(=C/Nc1ccc2ccccc2c1)C(=O)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.52
MAPT P10636 7/20 0.52
NPSR1 Q6W5P4 5/20 0.52
KDM4E B2RXH2 4/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 3/20 0.45
HPGD P15428 1/20 0.44
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3568975 1.00 DHODH (0.52) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL13885851 0.86 DHODH (0.58) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL3565256 0.86 DHODH (0.58) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL3565253 0.86 DHODH (0.58) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL3574899 0.86 DHODH (0.69) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL3566706 0.86 DHODH (0.69) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL3564320 0.86 NPSR1 (0.53) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL3564321 0.86 NPSR1 (0.53) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL3569446 0.85 MAPT (0.61) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL3561102 0.85 DHODH (0.54) DHODHMAPTNPSR1KDM4ERECQL

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
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 DHODH 2623/4885MAPT 1159/4885NPSR1 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.