SCHEMBL3564394

SCHEMBL3564394

C#Cc1ccc(NC=C(C(=O)NCCC)C(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
PLK1 P53350 1/20 0.34
DHODH Q02127 2/20 0.33
HPGD P15428 2/20 0.33
DEGS1 O15121 1/20 0.33
GCGR P47871 1/20 0.33
GAA P10253 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3569435 0.87 HPGD (0.40) NPC1RAB9AMAPTDHODHHPGD
SCHEMBL3566399 0.87 DHODH (0.38) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3569433 0.87 HPGD (0.40) NPC1RAB9AMAPTDHODHHPGD
SCHEMBL3566397 0.87 DHODH (0.38) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3570778 0.85 EPHX1 (0.34) EPHX1KMT2AMEN1GAAALDH1A1
SCHEMBL3574762 0.78 HPGD (0.40) NPC1RAB9ACNR1MAPTDHODH
SCHEMBL3574760 0.78 HPGD (0.40) NPC1RAB9ACNR1MAPTDHODH
SCHEMBL3557445 0.77 DHODH (0.38) NPC1RAB9AMAPTDHODHGAA
SCHEMBL3557443 0.77 DHODH (0.38) NPC1RAB9AMAPTDHODHGAA
SCHEMBL3564392 0.77 EPHX1 (0.40) EPHX1KMT2AMEN1CNR1CNR2

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 13 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 claimed
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US claimed
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
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 EPHX1 1565/4885KMT2A 3043/4885MEN1 2446/4885

“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.