SCHEMBL6745747

SCHEMBL6745747

CN1C(=O)C(Cc2ccc(S(C)(=O)=O)cc2)Sc2cc(C#CCc3cccnc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.37
PTGS2 P35354 3/20 0.34
PTGS1 P23219 1/20 0.34
NAMPT P43490 1/20 0.33
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GHSR Q92847 1/20 0.32
RIPK1 Q13546 3/20 0.31
JAK2 O60674 1/20 0.31
PTK2 Q05397 1/20 0.31
CXCR3 P49682 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MMP13 P45452 1/20 0.31
PARG Q86W56 1/20 0.31

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
SCHEMBL6745719 0.82 MDM2 (0.36) MDM2PTGS2PTGS1NAMPTCYP3A4
SCHEMBL6253028 0.76 PTGS2 (0.35) MDM2PTGS2PTGS1NAMPTCYP3A4
SCHEMBL6235902 0.69 GAA (0.41) PTGS2PTGS1NAMPTCXCR3MMP13
SCHEMBL6298053 0.68 MMP13 (0.67) MMP13
SCHEMBL6233862 0.65 ALDH1A1 (0.53) NAMPTCYP3A4
SCHEMBL6252588 0.65 CYP19A1 (0.36) PDE4D
SCHEMBL6706896 0.64 CYP3A4 (0.36) CYP3A4MMP13PARG
SCHEMBL5697101 0.63 MMP13 (0.41) MMP13
SCHEMBL6485796 0.63 PTGS2 (0.39) PTGS2PTGS1NAMPTCYP3A4KDM4E
SCHEMBL6230930 0.63 DHPS (0.39) PTGS2PTGS1NAMPTKDM4EJAK2

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
US-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors O'BRIEN PATRICK MICHAEL (US) 2004-03-04 US claimed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors O'BRIEN PATRICK MICHAEL (US) 2004-03-04 US disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 MDM2 3008/4885PTGS2 139/4885PTGS1 141/4885

“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.