SCHEMBL4454871

SCHEMBL4454871

Nc1cc(=O)[nH]c(=S)n1-c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALDH1A1 P00352 8/20 0.52
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.46
RECQL P46063 3/20 0.46
MEN1 O00255 3/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
IMPDH2 P12268 1/20 0.41
LOXL3 P58215 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 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
SCHEMBL1945368 0.85 ALDH1A1 (0.44) GAAALDH1A1KMT2AHPGDHTT
SCHEMBL7083963 0.82 ALDH1A1 (0.66) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL4489566 0.77 GAA (0.67) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL4456873 0.75 GAA (0.69) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL2456190 0.75 PKM (0.58) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL4461663 0.73 ALDH1A1 (0.46) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL4463068 0.73 ALDH1A1 (0.50) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL7088161 0.73 GAA (0.55) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL7255769 0.73 ALDH1A1 (0.60) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL4500342 0.73 MAPT (0.68) GAAALDH1A1KMT2AMAPTRECQL

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
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US disclosed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP disclosed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO 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 GAA 602/4885ALDH1A1 296/4885KMT2A 2979/4885

“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.