SCHEMBL6748445

SCHEMBL6748445

CN1C(=O)C(Cc2ccc(C(=O)O)cc2)Cc2cc(C(=O)NCc3cccnc3)ncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.46
GAA P10253 3/20 0.45
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HTT P42858 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GFER P55789 1/20 0.42
GLA P06280 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6748453 0.71 MMP13 (0.45) MMP13GAAALDH1A1MAPTKDM4E
SCHEMBL6273019 0.68 MMP13 (0.84) MMP13GAALMNA
SCHEMBL8345369 0.67 MAPT (0.40) GAADRD2DRD3ALDH1A1MAPT
SCHEMBL6706820 0.67 MMP13 (0.57) MMP13ALDH1A1MAPTMEN1KMT2A
SCHEMBL1567098 0.66 NAMPT (0.67) GAAALDH1A1MAPTHTTMEN1
SCHEMBL18416069 0.66 MMP13 (1.00) MMP13ALDH1A1MAPTKDM4EHTT
SCHEMBL5209577 0.65 MMP13 (0.73) MMP13GAAALDH1A1MAPTKDM4E
SCHEMBL8343166 0.65 DRD2 (0.48) GAADRD2DRD3ALDH1A1MAPT
SCHEMBL20236126 0.63 CYP1A2 (0.66) MMP13GAAALDH1A1KDM4ENPSR1
SCHEMBL6194796 0.63 NR1H4 (0.59) GAAALDH1A1MAPTHTTNPSR1

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 MMP13 1/4885GAA 966/4885DRD2 1533/4885

“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.