SCHEMBL2454484

SCHEMBL2454484

CC(C)c1cc(Cn2c(N)cc(=O)[nH]c2=S)on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 3/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 3/20 0.34
TLR7 Q9NYK1 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MPO P05164 1/20 0.32
TPO P07202 1/20 0.32
KCNH2 Q12809 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL2454159 0.82 MPO (0.35) SCN9AALDH1A1CYP3A4TLR7EPHX2
SCHEMBL2288691 0.77 MPO (0.54) MAPK1TSHRCYP3A4HPGDMPO
SCHEMBL2454086 0.72 MTNR1A (0.45) MTNR1AMTNR1BGAAMAPK1TSHR
SCHEMBL1958327 0.71 MTNR1A (0.52) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1960192 0.70 TSHR (0.75) MTNR1AMTNR1BTSHRALDH1A1CYP3A4
SCHEMBL2454465 0.67 MTNR1A (0.55) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1958450 0.67 KMT2A (0.56) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL2454380 0.66 TLR7 (0.47) MTNR1AMTNR1BGAAMAPK1TSHR
SCHEMBL1774871 0.65 MTNR1A (0.46) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL16832482 0.65 SLC2A1 (0.47) GAATSHRSCN9AALDH1A1KMT2A

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.