SCHEMBL4468853

SCHEMBL4468853

O=c1[nH]c(=S)n(-c2ccccc2Cl)c2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.49
TPO P07202 4/20 0.49
PNP P00491 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
HCAR1 Q9BXC0 2/20 0.40
RECQL P46063 1/20 0.39
ADORA2A P29274 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38

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
SCHEMBL4456847 0.81 MPO (0.46) MPOTPOPNPALDH1A1KDM4E
SCHEMBL4321197 0.78 MPO (0.51) MPOTPOPNPALDH1A1KDM4E
SCHEMBL4455014 0.78 PDE4A (0.54) MPOTPOPNPALDH1A1KDM4E
SCHEMBL4459189 0.77 MPO (0.49) MPOTPOPNPALDH1A1CYP3A4
SCHEMBL4338497 0.74 MPO (0.56) MPOTPOPNPCYP3A4KCNH2
SCHEMBL4498921 0.73 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDPDE7A
SCHEMBL4458262 0.73 ALDH1A1 (0.46) MPOTPOPNPALDH1A1CYP3A4
SCHEMBL4460714 0.72 MPO (0.53) MPOTPOPNPALDH1A1CYP3A4
SCHEMBL4453729 0.72 NPC1 (0.47) MPOTPOPNPALDH1A1KDM4E
SCHEMBL4316162 0.72 MPO (0.42) MPOTPOPNPALDH1A1CYP3A4

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 MPO 1/4885TPO 8/4885PNP 118/4885

“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.