SCHEMBL6167249

SCHEMBL6167249

O=c1c2cc(C#CCc3ccccc3)ccc2ccn1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.56
SLC22A8 Q8TCC7 1/20 0.46
ACHE P22303 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
BRD4 O60885 1/20 0.39
PDPK1 O15530 1/20 0.39
DHPS P49366 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
SCHEMBL5697042 0.93 MMP13 (0.67) MMP13SLC22A8
SCHEMBL5696907 0.92 MMP13 (0.68) MMP13SLC22A8EGLN1
SCHEMBL5697153 0.91 MMP13 (0.68) MMP13SLC22A8EGLN1
SCHEMBL6167628 0.90 MMP13 (0.53) MMP13SLC22A8
SCHEMBL5696920 0.90 MMP13 (0.55) MMP13SLC22A8
SCHEMBL6167805 0.89 MMP13 (0.56) MMP13SLC22A8BRD4PDPK1
SCHEMBL5697120 0.89 MMP13 (0.69) MMP13SLC22A8PDPK1
SCHEMBL5697240 0.89 MMP13 (0.57) MMP13SLC22A8
SCHEMBL6168071 0.89 MMP13 (0.54) MMP13PDPK1
SCHEMBL6169612 0.87 MAPT (0.53) MMP13

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 3 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 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 1532/4885ACHE 1482/4885

“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.