SCHEMBL4251894

SCHEMBL4251894

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 4/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 2/20 0.55
GLA P06280 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
ATM Q13315 1/20 0.55
ABL1 P00519 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CFTR P13569 2/20 0.50
PLA2G2A P14555 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALPL P05186 1/20 0.47
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL11153695 0.94 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL27122631 0.88 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL4257305 0.88 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL10362606 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL21543811 0.86 MAOA (0.55) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL23757550 0.85 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL4256831 0.84 PTPN11 (0.55) PLA2G2ATSHR
SCHEMBL16482859 0.84 MAOA (0.54) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL22056299 0.84 KDM4E (0.51) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL4778745 0.84 MAOA (0.41) ALDH1A1HSD17B10KDM4EHPGDMAPT

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 ALDH1A1 1981/4885HSD17B10 3564/4885KDM4E 414/4885

“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.