SCHEMBL4256108

SCHEMBL4256108

CCCCOc1ccc(/N=C\C(C)C)c(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
PLA2G2A P14555 2/20 0.42
ALPL P05186 1/20 0.40
PTPN11 Q06124 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4261211 0.83 MAOA (0.47) MAOBMAOAPLA2G2AALPLPTPN11
SCHEMBL4261209 0.83 MAOA (0.47) MAOBMAOAPLA2G2AALPLPTPN11
SCHEMBL21543811 0.77 MAOA (0.55) MAOBMAOAPLA2G2AALPLPTPN11
SCHEMBL12587312 0.74 CA12 (0.56) MAOBMAOAPLA2G2AALPLPTPN11
SCHEMBL13162403 0.74 MAOA (0.53) MAOBMAOAPLA2G2AALPLPTPN11
SCHEMBL8085882 0.74 MAOA (0.60) MAOBMAOAPLA2G2APTPN11
SCHEMBL12837266 0.74 MAOA (0.48) MAOBMAOAPLA2G2AALPLPTPN11
SCHEMBL16836640 0.73 MAOA (0.62) MAOBMAOAPTPN11
SCHEMBL4257305 0.73 ALDH1A1 (0.56) MAOBMAOAPLA2G2AALPLPTPN11
SCHEMBL14473947 0.73 MAOA (0.52) MAOBMAOAPLA2G2AALPLPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT MAOB 937/4885MAOA 785/4885PLA2G2A 4259/4885

“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.