SCHEMBL6744482

SCHEMBL6744482

CN1C(=O)C(Cc2ccc(C(=O)O)cc2)Oc2cc(C#CCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.52
F10 P00742 9/20 0.52
MMP13 P45452 5/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
RIPK1 Q13546 2/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL6745728 0.75 F2 (0.54) F2F10ITGB3ITGA2B
SCHEMBL6748454 0.75 F2 (0.54) F2F10ITGB3ITGA2B
SCHEMBL9462311 0.73 F2 (0.52) F2F10ITGB3ITGA2B
SCHEMBL6745725 0.71 F2 (0.46) F2F10ITGB3ITGA2B
SCHEMBL6706890 0.70 MMP13 (0.55) MMP13SLC22A8FFAR1FFAR4HDAC1
SCHEMBL8355360 0.69 MMP13 (0.52) MMP13SLC22A8FFAR1FFAR4HDAC1
SCHEMBL8359450 0.69 MMP13 (0.52) MMP13SLC22A8FFAR1FFAR4
SCHEMBL6270042 0.67 MMP13 (0.41) MMP13SLC22A8
SCHEMBL6270037 0.66 MMP13 (0.41) MMP13SLC22A8HDAC1HDAC6HDAC3
SCHEMBL6767426 0.66 KMT2A (0.67) MMP13SLC22A8HDAC1HDAC6HDAC3

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 F2 357/4885F10 673/4885MMP13 1/4885

“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.