SCHEMBL4456873

SCHEMBL4456873

Nc1cc(=O)[nH]c(=S)n1-c1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 1/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
RECQL P46063 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4489566 0.84 GAA (0.67) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL7083963 0.83 ALDH1A1 (0.66) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL4513599 0.80 GAA (0.69) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL4471375 0.79 GAA (0.61) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL4492543 0.79 GAA (0.61) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL4495172 0.78 GAA (0.44) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL4456504 0.77 ALDH1A1 (0.56) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL4454871 0.75 GAA (0.56) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL4456810 0.74 CA12 (0.41) GAAALDH1A1KMT2AHPGDMAPT
SCHEMBL7088161 0.74 GAA (0.55) GAAALDH1A1KMT2AHPGDMAPT

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 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.