SCHEMBL4261209

SCHEMBL4261209

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PLA2G2A P14555 2/20 0.42
THRA P10827 5/20 0.41
THRB P10828 5/20 0.41
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

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 1.00 MAOA (0.47) MAOAMAOBPLA2G2ATHRATHRB
SCHEMBL4253929 0.90 MAOA (0.45) MAOAMAOBPLA2G2ATHRATHRB
SCHEMBL4253926 0.90 MAOA (0.45) MAOAMAOBPLA2G2ATHRATHRB
SCHEMBL3273436 0.84 KDM4E (0.49) PLA2G2ACYP1A2CYP2C9CYP2C19
SCHEMBL3273430 0.84 KDM4E (0.49) PLA2G2ACYP1A2CYP2C9CYP2C19
SCHEMBL4778745 0.84 MAOA (0.41) MAOAMAOBPLA2G2ATHRATHRB
SCHEMBL4778737 0.84 MAOA (0.41) MAOAMAOBPLA2G2ATHRATHRB
SCHEMBL4256108 0.83 MAOB (0.47) MAOAMAOBPLA2G2AALPLPTPN11
SCHEMBL14418090 0.81 ALDH1A1 (0.42) THRATHRBCYP1A2CYP2C9CYP2C19
SCHEMBL21543811 0.77 MAOA (0.55) MAOAMAOBPLA2G2ATHRATHRB

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 MAOA 785/4885MAOB 937/4885PLA2G2A 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.