SCHEMBL3533271

SCHEMBL3533271

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.38
HTT P42858 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
SYK P43405 3/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 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
SCHEMBL3534469 0.77 NNMT (0.36) NNMTIRAK4MEN1MAPTKMT2A
SCHEMBL3537586 0.77 NNMT (0.36) NNMTIRAK4MEN1MAPTKMT2A
SCHEMBL3533270 0.77 NNMT (0.38) NNMTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2528123 0.72 XDH (0.40) NNMTHTTMEN1MAPTKMT2A
SCHEMBL2530718 0.70 SLC9A5 (0.47) NNMTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2527196 0.70 JAK3 (0.46) NNMTSYKMAPK8HPGD
SCHEMBL2527039 0.70 NNMT (0.49) NNMTHTTTUBB4ATUBBTUBA3C
SCHEMBL29361411 0.70 NNMT (0.49) NNMTHTTTUBB4ATUBBTUBA3C
SCHEMBL2530100 0.70 IRAK4 (0.46) NNMTIRAK4MEN1MAPTKMT2A
SCHEMBL3534467 0.68 HTT (0.39) NNMTHTTIRAK4MAPTKMT2A

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 1076/4885HTT 4845/4885TAS1R3 4372/4885

“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.