SCHEMBL3359441

SCHEMBL3359441

[2H]C([2H])(O)c1ccc(=O)n(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
BLM P54132 1/20 0.51
HSD17B10 Q99714 1/20 0.51
COMT P21964 4/20 0.41
TYR P14679 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
IDH1 O75874 1/20 0.33
ATM Q13315 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PLA2G4A P47712 2/20 0.33
HTT P42858 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
SCHEMBL147797 0.86 KDM4E (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL15964171 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL13990963 0.83 ALDH1A1 (0.51) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL4628901 0.79 PTGS2 (0.53) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL23619123 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL3729672 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL312571 0.79 CYP1A2 (0.59) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL14194615 0.79 KDM4E (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL146809 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL16496891 0.78 TYR (0.34) TYR

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
US-8680123-B1 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS, INC (US) 2014-03-25 US disclosed
US-8383823-B2 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS (US) 2013-02-26 US disclosed
US-20110313004-A1 DEUTERATED PYRIDINONES CONCERT PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010065755-A1 DEUTERATED PYRIDINONES CONCERT PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
US-20080319026-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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 (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-20080319026-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 ALDH1A1 293/4885KDM4E 916/4885CYP1A2 97/4885
US-20110313004-A1 DEUTERATED PYRIDINONES TNF, TGFB1, PDXK ALDH1A1 1952/4885KDM4E 1483/4885CYP1A2 1753/4885

“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.