SCHEMBL3534467

SCHEMBL3534467

CC(C)CCc1nc(Cl)ccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
PARP1 P09874 4/20 0.33
NNMT P40261 1/20 0.33
KMT2A Q03164 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
SCHEMBL27491244 0.80 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9264139 0.77 HTT (0.43) HTTPARP1NNMTKMT2AATM
SCHEMBL1816798 0.75 CYP2C9 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1970477 0.74 RAB9A (0.48) KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL15738286 0.74 HTT (0.40) HTTPARP1MAPTPOLBL3MBTL1
SCHEMBL4184027 0.74 HTT (0.50) HTTPARP1KMT2AMAPTIRAK4
SCHEMBL2528123 0.72 XDH (0.40) HTTNNMTKMT2AMAPTL3MBTL1
SCHEMBL16989795 0.71 PLA2G2A (0.45) PARP1KMT2AATM
SCHEMBL479548 0.70 ALDH1A1 (0.46) PARP1NNMTKMT2AATMMAPT
SCHEMBL3537586 0.70 NNMT (0.36) GABRPGABRDGABRA1GABRB1GABRG2

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-1654235-B1 3- AMINOCARBONYL, 6-PHENYL SUBSTITUTED PYRIDINE-1-OXIDES AS P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-7838540-B2 3-aminocarbonyl, 6-phenyl substituted pyridine-1-oxides as p38 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-11-23 US disclosed
US-20070161684-A1 3-Aminocarbonyl, 6-phenyl substituted pyridine-1-oxides as p38 kinase inhibitors SIMITHKLINE BEECHMAN CORPORATION (US) 2007-07-12 US disclosed
EP-1654235-A1 3- AMINOCARBONYL, 6-PHENYL SUBSTITUTED PYRIDINE-1-OXIDES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005014550-A1 3- AMINOCARBONYL, 6-PHENYL SUBSTITUTED PYRIDINE-1-OXIDES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 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-20070161684-A1 3-Aminocarbonyl, 6-phenyl substituted pyridine-1-oxides as p38 kinase inhibitors MAPK1, MAPK3, MAPKAPK2 HTT 4845/4885GABRP 1602/4885GABRD 3290/4885

“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.