SCHEMBL4174336

SCHEMBL4174336

O=[N+]([O-])c1ccc(F)c(C#CC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
VCAM1 P19320 1/20 0.40
HSP90AA1 P07900 1/20 0.39
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.38
P2RY6 Q15077 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
REN P00797 1/20 0.35
CTSD P07339 1/20 0.35
CYP3A4 P08684 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 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
SCHEMBL15322640 0.88 ALDH1A1 (0.44) ALDH1A1HIF1AL3MBTL1VCAM1HSP90AA1
SCHEMBL1465043 0.83 TDP1 (0.46) ALDH1A1VCAM1HSP90AA1LMNAKMT2A
SCHEMBL697640 0.75 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1LMNAKMT2A
SCHEMBL643730 0.74 ALDH1A1 (0.49) ALDH1A1HIF1AL3MBTL1VCAM1LMNA
SCHEMBL16957219 0.74 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNAKMT2A
SCHEMBL594390 0.74 VCAM1 (0.64) ALDH1A1HIF1AVCAM1LMNAKMT2A
SCHEMBL4645678 0.74 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNAKMT2A
SCHEMBL27880249 0.74 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNAKMT2A
SCHEMBL22091313 0.74 CYP3A4 (0.44) ALDH1A1HSP90AA1LMNAKMT2ASMN1; SMN2
SCHEMBL22230552 0.72 HSP90AA1 (0.55) ALDH1A1HIF1AL3MBTL1HSP90AA1LMNA

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 5 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-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
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

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-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 ALDH1A1 100/4885HIF1A 3644/4885L3MBTL1 4587/4885

“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.