SCHEMBL6176385

SCHEMBL6176385

COc1cc(CNC(=O)c2ccc3c(c2)CN(C(=O)c2ccc(C(=O)O)cc2)C=C3)ccn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.46
NR1H4 Q96RI1 3/20 0.41
LMNA P02545 3/20 0.41
TRPA1 O75762 1/20 0.39
EPHX2 P34913 4/20 0.39
WDR5 P61964 1/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL6179238 0.89 MMP13 (0.41) MMP13LMNATRPA1EPHX2WDR5
SCHEMBL6174514 0.85 GAA (0.46) MMP13NR1H4LMNAEPHX2
SCHEMBL6700944 0.81 ROCK2 (0.42) NR1H4EPHX2
SCHEMBL6175040 0.80 GAA (0.50) MMP13LMNA
SCHEMBL6181335 0.80 NR1H4 (0.47) MMP13NR1H4LMNAEPHX2
SCHEMBL6179339 0.76 GAA (0.43) MMP13LMNA
SCHEMBL6194250 0.72 NR1H4 (0.52) MMP13NR1H4EPHX2HDAC1
SCHEMBL6697241 0.72 LMNA (0.48) MMP13LMNA
SCHEMBL6198268 0.72 MMP13 (0.47) MMP13NR1H4EPHX2HDAC1EGLN1
SCHEMBL6177877 0.71 MAPT (0.41) LMNAEPHX2TP53

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-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP claimed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US claimed
WO-2004014379-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US disclosed
WO-2004014379-A1 ISOQUINOLINE 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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885NR1H4 1712/4885LMNA 1815/4885

“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.