SCHEMBL4253926

SCHEMBL4253926

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
THRA P10827 8/20 0.43
THRB P10828 8/20 0.43
PLA2G2A P14555 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALPL P05186 1/20 0.40
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
SCHEMBL4253929 1.00 MAOA (0.45) MAOAMAOBTHRATHRBPLA2G2A
SCHEMBL4778745 0.93 MAOA (0.41) MAOAMAOBTHRATHRBPLA2G2A
SCHEMBL4778737 0.93 MAOA (0.41) MAOAMAOBTHRATHRBPLA2G2A
SCHEMBL4261211 0.90 MAOA (0.47) MAOAMAOBTHRATHRBPLA2G2A
SCHEMBL4261209 0.90 MAOA (0.47) MAOAMAOBTHRATHRBPLA2G2A
SCHEMBL24392404 0.84 KDM4E (0.46) PLA2G2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL29589039 0.84 KDM4E (0.46) PLA2G2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL29262921 0.84 KDM4E (0.46) PLA2G2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL14418090 0.81 ALDH1A1 (0.42) THRATHRBKDM4EALDH1A1HPGD
SCHEMBL24393315 0.78 KDM4E (0.45) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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 2 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

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 937/4885THRA 1818/4885

“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.