SCHEMBL3574091

SCHEMBL3574091

CCCNC(=O)C(=O)Cc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.47
HPGD P15428 3/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PGR P06401 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SHBG P04278 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
MAPK8 P45983 1/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL21401067 0.83 KMT2A (0.52) CTBP2HPGDALDH1A1NPC1KMT2A
SCHEMBL3562189 0.83 RIPK1 (0.46) ALDH1A1NPC1KMT2AMEN1RAB9A
SCHEMBL3557341 0.83 CHRM2 (0.54) CTBP2HPGDALDH1A1NPC1RAB9A
SCHEMBL3560678 0.79 HPGD (0.43) CTBP2HPGDALDH1A1NPC1KMT2A
SCHEMBL3571213 0.78 CES2 (0.55) KMT2APOLB
SCHEMBL10998205 0.76 KMT2A (0.43) CTBP2HPGDALDH1A1NPC1KMT2A
SCHEMBL14223241 0.76 KMT2A (0.45) CTBP2HPGDALDH1A1NPC1KMT2A
SCHEMBL2935163 0.73 CTBP2 (0.62) CTBP2HPGDALDH1A1NPC1KMT2A
SCHEMBL7636382 0.73 CTBP2 (0.49) CTBP2HPGDALDH1A1NPC1KMT2A
SCHEMBL7637044 0.71 CTDSP1 (0.50) CTBP2ALDH1A1KMT2AMEN1SHBG

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 CTBP2 1115/4885HPGD 1991/4885ALDH1A1 423/4885

“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.