SCHEMBL3567486

SCHEMBL3567486

CCCNC(=O)C(=CNc1ccc(I)cc1)C(=O)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DHODH Q02127 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
F2R P25116 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL3567483 1.00 HPGD (0.41) HPGDCES2CES1DHODHCYP1A2
SCHEMBL3565141 0.91 ALDH1A1 (0.41) HPGDCES2CES1DHODHCYP1A2
SCHEMBL3565144 0.91 ALDH1A1 (0.41) HPGDCES2CES1DHODHCYP1A2
SCHEMBL3568369 0.91 HPGD (0.43) HPGDCES2CES1DHODHCYP1A2
SCHEMBL13504645 0.91 HPGD (0.43) HPGDCES2CES1DHODHCYP1A2
SCHEMBL3566919 0.89 HPGD (0.41) HPGDCES2CES1DHODHCYP1A2
SCHEMBL3566921 0.89 HPGD (0.41) HPGDCES2CES1DHODHCYP1A2
SCHEMBL3574762 0.87 HPGD (0.40) HPGDCES2CES1DHODHCYP1A2
SCHEMBL3574760 0.87 HPGD (0.40) HPGDCES2CES1DHODHCYP1A2
SCHEMBL3569433 0.87 HPGD (0.40) HPGDCES2CES1DHODHCYP1A2

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 HPGD 1991/4885CES2 1007/4885CES1 1398/4885

“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.