SCHEMBL4457119

SCHEMBL4457119

Nc1c(N)n(-c2cc(F)ccc2F)c(=S)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
MPO P05164 3/20 0.38
PDE7A Q13946 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4456504 0.78 ALDH1A1 (0.56) HSD17B10ALDH1A1HPGDALOX15TSHR
SCHEMBL4495172 0.77 GAA (0.44) ALDH1A1HPGDMAPTKMT2APOLB
SCHEMBL4338497 0.75 MPO (0.56) HSD17B10HPGDMAPTKMT2APOLB
SCHEMBL4502590 0.71 MAPT (0.39) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL4498921 0.71 ALDH1A1 (0.48) ALDH1A1HPGDMAPTKMT2APOLB
SCHEMBL4453819 0.70 ALDH1A1 (0.48) HSD17B10ALDH1A1HPGDALOX15MAPT
SCHEMBL4504602 0.70 MAPT (0.51) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL4566658 0.70 CA12 (0.38) ALDH1A1HPGDMAPTKMT2APOLB
SCHEMBL1961737 0.67 MPO (0.60) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL4500301 0.64 GAA (0.45) ALDH1A1KMT2AMEN1KDM4E

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 HSD17B10 1182/4885ALDH1A1 296/4885HPGD 139/4885

“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.