SCHEMBL4461663

SCHEMBL4461663

Nc1c(N=O)c(=O)[nH]c(=S)n1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
RECQL P46063 4/20 0.38
THRB P10828 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
IMPDH2 P12268 1/20 0.37
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.35
PSMD14 O00487 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 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
SCHEMBL1944625 0.87 NPC1 (0.39) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4501815 0.78 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4456810 0.77 CA12 (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4492126 0.76 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ARECQL
SCHEMBL4458183 0.74 GRIN2D (0.38) MAPTMEN1KMT2AGAAHTT
SCHEMBL4499372 0.74 NSD2 (0.39) ALDH1A1MAPTMEN1KMT2ARECQL
SCHEMBL4471023 0.74 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4454521 0.74 MGLL (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1948074 0.74 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAAHSD17B10
SCHEMBL4566658 0.73 CA12 (0.38) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US disclosed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX ALDH1A1 296/4885MAPT 4050/4885MEN1 2777/4885

“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.