SCHEMBL3537586

SCHEMBL3537586

CC(C)[C@@H](C)c1nc(Cl)ccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.36
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.33
PARP1 P09874 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
JAK2 O60674 2/20 0.32
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL3534469 1.00 NNMT (0.36) NNMTKMT2AATMIRAK4PARP1
SCHEMBL3533271 0.77 NNMT (0.38) NNMTKMT2AIRAK4PARP1MAPT
SCHEMBL3533270 0.74 NNMT (0.38) NNMTKMT2AATMPARP1MAPT
SCHEMBL3648999 0.73 NNMT (0.58) NNMTKMT2AATMPARP1MAPT
SCHEMBL893997 0.72 KMT2A (0.42) NNMTKMT2AATMPARP1MAPT
SCHEMBL2530100 0.72 IRAK4 (0.46) NNMTKMT2AIRAK4MAPTALDH1A1
SCHEMBL2518978 0.71 GABRP (0.43) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL392559 0.71 IKBKB (0.46) NNMTKMT2AATMPARP1MAPT
SCHEMBL30664846 0.71 IKBKB (0.46) NNMTKMT2AATMPARP1MAPT
SCHEMBL18941668 0.71 KMT2A (0.41) NNMTKMT2AATMPARP1MAPT

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 NNMT 1076/4885KMT2A 3728/4885ATM 603/4885

“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.