SCHEMBL4172823

SCHEMBL4172823

COC(=O)c1sc(C#CC2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
HPGD P15428 4/20 0.37
ALDH1A1 P00352 5/20 0.36
COMT P21964 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
CACNA1F O60840 1/20 0.35
GMNN O75496 1/20 0.35
KCNK2 O95069 1/20 0.35
ABCB11 O95342 1/20 0.35
GSR P00390 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3884373 0.80 ALDH1A1 (0.40) HPGDALDH1A1COMTKDM4ELMNA
SCHEMBL4253150 0.79 IKBKB (0.47) IKBKBHPGDALDH1A1KDM4EMAPT
SCHEMBL318394 0.79 IKBKB (0.44) IKBKBHPGDALDH1A1KDM4ELMNA
SCHEMBL4163196 0.79 L3MBTL1 (0.39) HPGDALDH1A1COMTKMT2ASMN1; SMN2
SCHEMBL4167224 0.77 ATM (0.34) HPGDALDH1A1COMTKDM4EKMT2A
Hydrochloric Acid SCHEMBL4775305 0.77 IKBKB (0.45) IKBKBHPGDALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL4775311 0.77 IKBKB (0.45) IKBKBHPGDALDH1A1KDM4EMAPT
SCHEMBL4170548 0.77 ALDH1A1 (0.35) HPGDALDH1A1COMTKDM4ELMNA
SCHEMBL4775318 0.75 IKBKB (0.43) IKBKBHPGDALDH1A1KDM4EMAPT
SCHEMBL4793851 0.72 ALDH1A1 (0.33) HPGDALDH1A1COMTKDM4ELMNA

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 IKBKB 2130/4885HPGD 1715/4885ALDH1A1 1981/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 IKBKB 2463/4885HPGD 1912/4885ALDH1A1 100/4885

“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.