SCHEMBL1959337

SCHEMBL1959337

Nc1cc(=O)[nH]c(=S)n1CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 1.00
MTNR1B P49286 2/20 1.00
KMT2A Q03164 6/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
GAA P10253 4/20 0.63
MAPK1 P28482 1/20 0.63
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
DAO P14920 1/20 0.48
BACE1 P56817 1/20 0.44
MEN1 O00255 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL1948012 0.86 KMT2A (1.00) MTNR1AMTNR1BKMT2AL3MBTL1GAA
SCHEMBL2454164 0.77 MTNR1A (0.62) MTNR1AMTNR1BKMT2AL3MBTL1GAA
SCHEMBL1960064 0.77 MTNR1A (0.62) MTNR1AMTNR1BKMT2AL3MBTL1GAA
SCHEMBL8578072 0.73 KMT2A (0.76) MTNR1AMTNR1BKMT2AL3MBTL1GAA
SCHEMBL8579628 0.73 KMT2A (0.76) MTNR1AMTNR1BKMT2AL3MBTL1GAA
SCHEMBL2456190 0.73 PKM (0.58) MTNR1AMTNR1BKMT2AL3MBTL1GAA
SCHEMBL1032784 0.73 HPGD (1.00) MTNR1AMTNR1BKMT2AL3MBTL1ALDH1A1
SCHEMBL562714 0.73 MTNR1A (0.57) MTNR1AMTNR1BKMT2AL3MBTL1GAA
SCHEMBL1958324 0.73 GAA (0.59) MTNR1AMTNR1BKMT2AL3MBTL1GAA
SCHEMBL1959865 0.72 MTNR1A (0.56) MTNR1AMTNR1BKMT2AL3MBTL1GAA

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 MTNR1A 525/4885MTNR1B 460/4885KMT2A 3549/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX MTNR1A 525/4885MTNR1B 460/4885KMT2A 3549/4885

“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.