SCHEMBL4455014

SCHEMBL4455014

O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2nc[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
MPO P05164 3/20 0.48
TPO P07202 3/20 0.48
CYP3A4 P08684 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 2/20 0.47
DUSP3 P51452 1/20 0.46
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PNP P00491 1/20 0.43
XDH P47989 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL4459189 0.87 MPO (0.49) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4460714 0.86 MPO (0.53) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4321197 0.85 MPO (0.51) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4456420 0.83 MPO (0.42) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4457135 0.83 MPO (0.47) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4456850 0.81 MPO (0.43) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4458262 0.80 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4461189 0.79 MPO (0.44) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4453729 0.78 NPC1 (0.47) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL4468853 0.78 MPO (0.49) PDE4APDE4BPDE4CPDE4DMPO

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 PDE4A 534/4885PDE4B 964/4885PDE4C 1006/4885

“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.