SCHEMBL4458262

SCHEMBL4458262

O=c1[nH]c(=S)n(-c2cccnc2)c2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MPO P05164 4/20 0.45
TPO P07202 4/20 0.45
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MAPK1 P28482 1/20 0.40
PNP P00491 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
ADORA2A P29274 2/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
IMPDH2 P12268 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL4455014 0.80 PDE4A (0.54) ALDH1A1MPOTPOPNPHPGD
SCHEMBL4460714 0.79 MPO (0.53) ALDH1A1MPOTPOMAPK1PNP
SCHEMBL4321197 0.77 MPO (0.51) ALDH1A1MPOTPOMAPK1PNP
SCHEMBL4459832 0.77 MPO (0.46) MPOTPOMAPK1PNPHPGD
SCHEMBL2278851 0.77 MPO (0.67) MPOTPOPNPHPGDHSD17B10
SCHEMBL31025321 0.77 MPO (0.67) MPOTPOPNPHPGDHSD17B10
SCHEMBL4459189 0.76 MPO (0.49) ALDH1A1MPOTPOMAPK1PNP
SCHEMBL4456420 0.76 MPO (0.42) ALDH1A1MPOTPOMAPK1PNP
SCHEMBL4457135 0.76 MPO (0.47) MPOTPOMAPK1PNPHPGD
SCHEMBL4316162 0.76 MPO (0.42) ALDH1A1MPOTPOMAPK1PNP

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 6 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 claimed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO claimed
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 296/4885MPO 1/4885TPO 8/4885

“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.