SCHEMBL1960768

SCHEMBL1960768

COCCCn1c(N)cc(=O)[nH]c1=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
MAPK1 P28482 2/20 0.56
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 8/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 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
SCHEMBL1959222 0.96 GAA (0.53) GAAMAPK1MTNR1AMTNR1BL3MBTL1
SCHEMBL1958324 0.91 GAA (0.59) GAAMAPK1MTNR1AMTNR1BL3MBTL1
SCHEMBL7960859 0.85 KMT2A (0.54) GAAMAPK1MTNR1AMTNR1BL3MBTL1
SCHEMBL562714 0.82 MTNR1A (0.57) GAAMAPK1MTNR1AMTNR1BL3MBTL1
SCHEMBL7188435 0.81 MTNR1A (0.56) GAAMAPK1MTNR1AMTNR1BL3MBTL1
SCHEMBL7187029 0.81 MTNR1A (0.56) GAAMAPK1MTNR1AMTNR1BL3MBTL1
SCHEMBL1946958 0.75 KMT2A (0.56) GAAMAPK1MTNR1AMTNR1BL3MBTL1
SCHEMBL19788134 0.74 ALDH1A1 (0.51) GAAMAPK1L3MBTL1ALDH1A1HTT
SCHEMBL14936068 0.73 ALDH1A1 (0.50) GAAMAPK1L3MBTL1ALDH1A1HTT
SCHEMBL1958327 0.72 MTNR1A (0.52) GAAMAPK1MTNR1AMTNR1BL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236951-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2012-08-07 US disclosed
EP-2332541-A1 Use of thioxanthine derivatives as MPO inhibitors AstraZeneca AB (SE) 2011-06-15 EP disclosed
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-7425560-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-09-16 US disclosed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 US disclosed
EP-1499613-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS AstraZeneca AB (SE) 2005-01-26 EP disclosed
WO-2003089430-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-30 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 (2 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-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX GAA 576/4885MAPK1 3139/4885MTNR1A 525/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX GAA 576/4885MAPK1 3139/4885MTNR1A 525/4885

“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.