SCHEMBL2461805

SCHEMBL2461805

Nc1cc(=O)[nH]c(=S)n1Cc1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
CYP3A4 P08684 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
DDAH1 O94760 1/20 0.42
POLB P06746 1/20 0.42
PDE10A Q9Y233 1/20 0.42
DRD4 P21917 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLAUR Q03405 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2454164 0.88 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1POLBPDE10A
SCHEMBL2457444 0.80 PDE10A (0.45) HTTALDH1A1HPGDDDAH1POLB
SCHEMBL2282109 0.74 MPO (0.58) HTTHPGDCYP3A4PDE10ADRD4
SCHEMBL2454163 0.73 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1HPGDCYP3A4
SCHEMBL1536742 0.72 MPO (0.55) CYP3A4
SCHEMBL2452419 0.71 KLK7 (0.46) MTNR1AMTNR1BHTTALDH1A1POLB
SCHEMBL2455398 0.71 EGLN3 (0.49) ALDH1A1POLBPDE10AMAPTPLAUR
SCHEMBL2454465 0.70 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1HPGDCYP3A4
SCHEMBL2456190 0.70 PKM (0.58) MTNR1AMTNR1BHTTALDH1A1HPGD
SCHEMBL21702915 0.69 HTT (0.49) HTTALDH1A1HPGDDDAH1POLB

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 5 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
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120098-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-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MTNR1A 234/4885MTNR1B 450/4885HTT 2407/4885

“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.