SCHEMBL4181600

SCHEMBL4181600

COC(=O)c1sc(C(=O)C2CCCC2)cc1/N=C/N(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 3/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4181610 1.00 ALDH1A1 (0.39) ALDH1A1HTTTSHRKMT2ASMN1; SMN2
SCHEMBL4261323 0.90 ALDH1A1 (0.37) ALDH1A1HTTTSHRKMT2ASMN1; SMN2
SCHEMBL4775338 0.85 ALDH1A1 (0.34) ALDH1A1HTTTSHRSMN1; SMN2MAPT
SCHEMBL4257319 0.78 ALDH1A1 (0.42) ALDH1A1HTTTSHRKMT2ASMN1; SMN2
SCHEMBL4257323 0.78 ALDH1A1 (0.42) ALDH1A1HTTTSHRKMT2ASMN1; SMN2
SCHEMBL4167131 0.76 ALDH1A1 (0.49) ALDH1A1HTTTSHRKMT2ASMN1; SMN2
SCHEMBL4167134 0.76 ALDH1A1 (0.49) ALDH1A1HTTTSHRKMT2ASMN1; SMN2
SCHEMBL4181616 0.75 ALDH1A1 (0.39) ALDH1A1HTTTSHRKMT2ASMN1; SMN2
SCHEMBL1531396 0.75 ALDH1A1 (0.45) ALDH1A1HTTTSHRKMT2ASMN1; SMN2
SCHEMBL4176316 0.75 KDM4E (0.44) ALDH1A1HTTKMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
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
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP 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-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO 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 (2 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 1981/4885HTT 926/4885TSHR 533/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 ALDH1A1 100/4885HTT 1625/4885TSHR 783/4885

“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.