SCHEMBL4269459

SCHEMBL4269459

CC(NC(=O)OC(C)(C)C)Nc1ncccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
AAK1 Q2M2I8 2/20 0.38
KDM4E B2RXH2 3/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
METAP1 P53582 1/20 0.37
CA12 O43570 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL4273252 0.81 LMNA (0.46) TRPA1KDM4EALDH1A1HTTMAPK1
SCHEMBL644819 0.81 CCNE2 (0.44) TRPA1AAK1KDM4ECA2CA1
SCHEMBL550667 0.81 METAP1 (0.46) KDM4ECA2CA1CA9METAP1
SCHEMBL31477562 0.79 CTSK (0.39) MAPTATMCTSSCTSK
SCHEMBL16879880 0.79 GAA (0.47) KDM4ECA2CA1CA9METAP1
SCHEMBL31477212 0.78 KLK5 (0.39) ALDH1A1MAPK1MAPTATMCTSS
SCHEMBL644995 0.77 PPARA (0.44) ATMCTSSCTSK
SCHEMBL21158092 0.77 TRPA1 (0.39) TRPA1AAK1KDM4ECA2CA1
SCHEMBL647288 0.76 KLK5 (0.40) AAK1KDM4EALDH1A1MAPTATM
SCHEMBL31477354 0.76 MMP8 (0.39) CA2CA1CA9CA12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608717-B2 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-10-27 US disclosed
US-20080070943-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-03-20 US disclosed
US-7291736-B2 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-06 US disclosed
EP-1648891-A1 SULFONYLDIHYDROIMID- AZOPYRIDINONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-04-26 EP disclosed
WO-2005010003-A1 SULFONYLDIHYDROIMID- AZOPYRIDINONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-03 WO disclosed
US-20050020596-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 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-20080070943-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C TRPA1 272/4885AAK1 1326/4885KDM4E 2278/4885
US-20050020596-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C TRPA1 272/4885AAK1 1326/4885KDM4E 2278/4885

“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.