SCHEMBL3560678

SCHEMBL3560678

C#CCNC(=O)C(=O)Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CTBP2 P56545 1/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 1/20 0.42
MAPK8 P45983 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3574091 0.79 CTBP2 (0.47) HPGDALDH1A1CTBP2NPC1KMT2A
SCHEMBL28722567 0.73 CTBP2 (0.50) HPGDALDH1A1CTBP2NPC1KMT2A
SCHEMBL2935163 0.72 CTBP2 (0.62) HPGDALDH1A1CTBP2NPC1KMT2A
SCHEMBL7636382 0.71 CTBP2 (0.49) HPGDALDH1A1CTBP2NPC1KMT2A
SCHEMBL17214429 0.70 HPGD (0.60) HPGDALDH1A1NPC1KMT2ARAB9A
SCHEMBL2935824 0.69 CTBP2 (0.58) HPGDALDH1A1CTBP2NPC1KMT2A
SCHEMBL2824288 0.69 NPC1 (0.49) HPGDALDH1A1CTBP2NPC1KMT2A
SCHEMBL2824287 0.69 NPC1 (0.49) HPGDALDH1A1CTBP2NPC1KMT2A
SCHEMBL28502235 0.69 CTBP2 (0.53) HPGDALDH1A1CTBP2NPC1KMT2A
SCHEMBL30589557 0.69 CTBP2 (0.53) HPGDALDH1A1CTBP2NPC1KMT2A

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 1991/4885ALDH1A1 423/4885CTBP2 1115/4885

“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.