SCHEMBL6176003

SCHEMBL6176003

COc1cc(CNC(=O)c2ccc3ccn(Cc4ccc(C(=O)O)cc4)c(=O)c3c2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.65
SLC22A8 Q8TCC7 1/20 0.49
POLB P06746 2/20 0.48
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 2/20 0.45
WDR5 P61964 2/20 0.45
TRPA1 O75762 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL6179234 0.89 MMP13 (0.60) MMP13SLC22A8POLBTP53LMNA
SCHEMBL6174508 0.85 MMP13 (0.59) MMP13SLC22A8POLBLMNANR1H4
SCHEMBL6843459 0.81 MMP13 (0.52) MMP13NR1H4
SCHEMBL6176333 0.81 MMP13 (0.52) MMP13SLC22A8LMNANR1H4
SCHEMBL6181327 0.80 MMP13 (0.58) MMP13TP53LMNARXFP1NR1H4
SCHEMBL6175029 0.80 GAA (0.57) MMP13POLBLMNARXFP1
SCHEMBL6269876 0.79 MMP13 (1.00) MMP13SLC22A8
SCHEMBL6842615 0.78 MMP13 (0.51) MMP13LMNAWDR5NR1H4
SCHEMBL6194250 0.78 NR1H4 (0.52) MMP13NR1H4
SCHEMBL6179334 0.76 MMP13 (0.48) MMP13POLBTP53LMNARXFP1

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 2/4885SLC22A8 1532/4885POLB 672/4885

“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.