SCHEMBL1960064

SCHEMBL1960064

Nc1c(N)n(CCc2ccccc2)c(=S)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 0.62
DAO P14920 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 7/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 4/20 0.48
G6PD P11413 1/20 0.48
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PLK1 P53350 1/20 0.42
MAPT P10636 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 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
SCHEMBL1947719 0.86 KMT2A (0.59) MTNR1AMTNR1BDAOSMN1; SMN2NPC1
SCHEMBL23323358 0.85 KMT2A (0.52) MTNR1AMTNR1BKMT2AKDM4EMEN1
SCHEMBL1959865 0.83 MTNR1A (0.56) MTNR1AMTNR1BDAOSMN1; SMN2NPC1
SCHEMBL2455398 0.77 EGLN3 (0.49) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL1959337 0.77 MTNR1A (1.00) MTNR1AMTNR1BDAOSMN1; SMN2NPC1
SCHEMBL1461128 0.74 PNP (0.62) MTNR1AMTNR1BDAOSMN1; SMN2NPC1
SCHEMBL8581796 0.73 DAO (0.55) MTNR1AMTNR1BDAOKMT2AL3MBTL1
SCHEMBL8576934 0.73 L3MBTL1 (0.44) MTNR1AMTNR1BDAOSMN1; SMN2KMT2A
SCHEMBL1945491 0.73 KDM4E (0.66) DAOSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL2454739 0.72 PKM (0.57) SMN1; SMN2KMT2AGAAKDM4EMEN1

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 460/4885DAO 320/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX MTNR1A 525/4885MTNR1B 460/4885DAO 320/4885

“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.