SCHEMBL2454086

SCHEMBL2454086

Cc1nonc1Cn1c(N)cc(=O)[nH]c1=S

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
GAA P10253 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.39
PARG Q86W56 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MPO P05164 3/20 0.31
HSP90B1 P14625 1/20 0.30
TRAP1 Q12931 1/20 0.30

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
SCHEMBL2284096 0.74 MPO (0.57) CYP3A4HPGDMPO
SCHEMBL2454380 0.72 TLR7 (0.47) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL2454484 0.72 MTNR1A (0.41) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL2454465 0.70 MTNR1A (0.55) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1958327 0.69 MTNR1A (0.52) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1960192 0.69 TSHR (0.75) MTNR1AMTNR1BALDH1A1CYP3A4HPGD
SCHEMBL2455424 0.69 MTNR1A (0.49) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1958450 0.68 KMT2A (0.56) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1958423 0.68 GAA (0.59) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL2456190 0.68 PKM (0.58) MTNR1AMTNR1BGAAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US 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-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MTNR1A 234/4885MTNR1B 450/4885GAA 517/4885

“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.