SCHEMBL4307844

SCHEMBL4307844

O=C(O)c1ccsc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
POLB P06746 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ESR2 Q92731 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPRB P23467 1/20 0.42
PTPN6 P29350 1/20 0.42
NR4A1 P22736 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 9/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.40
DTYMK P23919 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL3673340 0.84 MAPT (0.53) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL27868477 0.82 MAPT (0.44) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL22128104 0.78 POLB (0.39) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL5800451 0.78 ALDH1A1 (0.47) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL27796267 0.78 SMN1; SMN2 (0.45) MAPTPOLBMEN1KMT2AESR2
SCHEMBL5950082 0.73 MAPT (0.50) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL8159398 0.72
SCHEMBL22142344 0.70 MAPT (0.36) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL22128122 0.70 MAPT (0.36) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL872076 0.70 PDE7A (0.46) MAPTPOLBTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486882-B Matrine alkaloid derivative and application thereof in preparation of multi-target multi-organ tissue cell injury inhibitor 吉林农业大学 2024-06-11 CN disclosed
CN-117486882-A Matrine alkaloid derivative and application thereof in preparation of multi-target multi-organ tissue cell injury inhibitor 吉林农业大学 2024-02-02 CN disclosed
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
CN-101384605-A Novel aminoalcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN 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 MAPT 2145/4885POLB 4085/4885TDP1 4124/4885

“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.