SCHEMBL4257323

SCHEMBL4257323

COC(=O)c1sc(C(=O)C(C)C)cc1N=CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
LMNA P02545 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
RAB9A P51151 3/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 3/20 0.31
CASP3 P42574 1/20 0.30

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
SCHEMBL4257319 1.00 ALDH1A1 (0.42) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL4774305 0.94 ALDH1A1 (0.38) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL4774303 0.94 ALDH1A1 (0.38) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL4167131 0.80 ALDH1A1 (0.49) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL4167134 0.80 ALDH1A1 (0.49) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL1531396 0.79 ALDH1A1 (0.45) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL1531393 0.79 ALDH1A1 (0.45) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL4181610 0.78 ALDH1A1 (0.39) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL4181600 0.78 ALDH1A1 (0.39) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL4169597 0.77 ALDH1A1 (0.44) ALDH1A1TSHRHTTKDM4ESMN1; SMN2

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 1981/4885TSHR 533/4885HTT 926/4885

“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.