SCHEMBL3566397

SCHEMBL3566397

C#Cc1ccc(N/C=C(\C(=O)NCCC)C(=O)c2ccccc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.38
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3566399 1.00 DHODH (0.38) DHODHGAANPSR1CYP2C9KMT2A
SCHEMBL3557443 0.90 DHODH (0.38) DHODHGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL3557445 0.90 DHODH (0.38) DHODHGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL3569435 0.89 HPGD (0.40) DHODHGAANPSR1CYP2C9SMN1; SMN2
SCHEMBL3569433 0.89 HPGD (0.40) DHODHGAANPSR1CYP2C9SMN1; SMN2
SCHEMBL3561385 0.89 DHODH (0.36) DHODHGAANPSR1SMN1; SMN2MAPT
SCHEMBL3561386 0.89 DHODH (0.36) DHODHGAANPSR1SMN1; SMN2MAPT
SCHEMBL13504578 0.88 DHODH (0.50) DHODHGAANPSR1KMT2ASMN1; SMN2
SCHEMBL13504577 0.88 DHODH (0.50) DHODHGAANPSR1KMT2ASMN1; SMN2
SCHEMBL3564394 0.87 EPHX1 (0.39) DHODHGAAKMT2AALDH1A1MAPT

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 DHODH 2623/4885GAA 1377/4885NPSR1 81/4885

“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.