SCHEMBL14158751

SCHEMBL14158751

CN(C)c1cccc(-c2cn(C)c3nccc(NS(=O)(=O)c4ccn(C)n4)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.53
▸ SCN9A Q15858 1/20 0.43
▸ FYN P06241 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ EIF2AK3 Q9NZJ5 8/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GLO1 Q04760 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
SCHEMBL14158929 0.89 CYBB (0.50) CYBBSCN9ACCR2BRD4EIF2AK3
SCHEMBL14158572 0.88 CYBB (0.49) CYBBSCN9ACCR2BRD4EIF2AK3
SCHEMBL14158560 0.88 CYBB (0.55) CYBBSCN9ACCR2BRD4EIF2AK3
SCHEMBL14158717 0.86 GLO1 (0.48) CYBBSCN9AFYNCCR2GAA
SCHEMBL14158968 0.85 CYBB (0.53) CYBBCCR2EIF2AK3GLO1
SCHEMBL14158731 0.85 SCN9A (0.47) CYBBSCN9APIM1BRD4EIF2AK3
SCHEMBL14158715 0.84 CYBB (0.51) CYBBSCN9ACCR2EIF2AK3GLO1
SCHEMBL14158918 0.83 CYBB (0.55) CYBBCCR2PIM1EIF2AK3
SCHEMBL14158904 0.83 SCN9A (0.45) CYBBSCN9AEIF2AK3MTOR
SCHEMBL14158521 0.82 CYBB (0.56) CYBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 — — EP disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 — — 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 CYBB 1/4885SCN9A 2852/4885FYN 115/4885

“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.

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