SCHEMBL6196444

SCHEMBL6196444

COc1cc(CNC(=O)c2ccc3ncc(Cc4ccc(C(=O)O)cc4)c(O)c3c2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.54
NR1H4 Q96RI1 3/20 0.47
EPHX2 P34913 1/20 0.43
HDAC1 Q13547 1/20 0.42
KLKB1 P03952 3/20 0.41
KLK1 P06870 3/20 0.41
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6843459 0.87 MMP13 (0.52) MMP13NR1H4EPHX2HDAC1KLKB1
SCHEMBL6195704 0.87 MMP13 (0.61) MMP13NR1H4EPHX2ALDH1A1ROCK2
SCHEMBL6195449 0.86 NR1H4 (0.50) MMP13NR1H4EPHX2HDAC1LMNA
SCHEMBL6191743 0.86 MMP13 (0.48) MMP13NR1H4EPHX2LMNAROCK2
SCHEMBL6194248 0.86 MMP13 (0.63) MMP13LMNAROCK2ROCK1MAPT
SCHEMBL6843203 0.85 MMP13 (0.40) MMP13ALDH1A1MAPT
SCHEMBL6195244 0.84 NR1H4 (0.51) MMP13NR1H4EPHX2L3MBTL1
SCHEMBL6194868 0.82 MMP13 (0.46) MMP13NR1H4EPHX2ROCK2SMN1; SMN2
SCHEMBL6194498 0.82 PTGER4 (0.48) MMP13NR1H4EPHX2L3MBTL1ROCK2
SCHEMBL6192514 0.82 POLB (0.51) MMP13NR1H4EPHX2KLKB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP claimed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US claimed
WO-2004014377-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 MMP13 3/4885NR1H4 1615/4885EPHX2 2569/4885

“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.