SCHEMBL2454041

SCHEMBL2454041

CCOc1c(C)[nH]ccc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 5/20 0.43
GRK6 P43250 1/20 0.40
KDM4E B2RXH2 5/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
PABPC1 P11940 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NUDT1 P36639 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NQO1 P15559 1/20 0.33
CCR8 P51685 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL4254547 0.98 POLB (0.61) POLBKMT2AALDH1A1GRK6KDM4E
SCHEMBL9271275 0.79 POLB (0.56) POLBKMT2AALDH1A1KDM4EMAPT
SCHEMBL1053740 0.78 POLB (0.54) POLBKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL82673 0.78 POLB (1.00) POLBKMT2AALDH1A1MEN1TSHR
SCHEMBL8894072 0.74 POLB (0.71) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL6280961 0.70 POLB (0.68) POLBKMT2AMEN1
SCHEMBL15215832 0.69 POLB (0.56) POLBKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL14351829 0.69 SMN1; SMN2 (0.49) KMT2AALDH1A1KDM4EMEN1TSHR
SCHEMBL791644 0.68
SCHEMBL14609406 0.67 POLB (0.53) POLBKMT2AALDH1A1KDM4ETSHR

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 POLB 535/4885KMT2A 2827/4885ALDH1A1 309/4885

“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.