SCHEMBL3570531

SCHEMBL3570531

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
DHODH Q02127 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
F2 P00734 1/20 0.36
KMT2A Q03164 2/20 0.36
SMO Q99835 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3573718 1.00 CES2 (0.41) CES2CES1DHODHSMN1; SMN2TSHR
SCHEMBL3568685 0.89 DHODH (0.55) DHODHNPSR1KDM4EMAPTRECQL
SCHEMBL3566832 0.89 DHODH (0.55) DHODHNPSR1KDM4EMAPTRECQL
SCHEMBL3560897 0.88 CES2 (0.38) CES2CES1DHODHTSHRALDH1A1
SCHEMBL3560898 0.88 CES2 (0.38) CES2CES1DHODHTSHRALDH1A1
SCHEMBL3574492 0.86 CES2 (0.45) CES2CES1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3574491 0.86 CES2 (0.45) CES2CES1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3571085 0.85 CES2 (0.41) CES2CES1DHODHSMN1; SMN2ALDH1A1
SCHEMBL3557140 0.84 CES2 (0.41) CES2CES1DHODHSMN1; SMN2ALDH1A1
SCHEMBL3557139 0.84 CES2 (0.41) CES2CES1DHODHSMN1; SMN2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CES2 1007/4885CES1 1398/4885DHODH 2623/4885

“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.