SCHEMBL5696907

SCHEMBL5696907

O=c1c2cc(C#CCc3ccccc3)ccc2ccn1Cc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.68
ALDH1A1 P00352 1/20 0.50
EGLN1 Q9GZT9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.41

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
SCHEMBL6167249 0.92 MMP13 (0.56) MMP13EGLN1SLC22A8
SCHEMBL5696920 0.87 MMP13 (0.55) MMP13ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL5697240 0.86 MMP13 (0.57) MMP13ALDH1A1HTTSLC22A8
SCHEMBL6168071 0.86 MMP13 (0.54) MMP13
SCHEMBL5697042 0.86 MMP13 (0.67) MMP13ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL6169612 0.84 MAPT (0.53) MMP13ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL5697153 0.84 MMP13 (0.68) MMP13EGLN1SLC22A8
SCHEMBL6167628 0.83 MMP13 (0.53) MMP13ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL6167805 0.82 MMP13 (0.56) MMP13SLC22A8
SCHEMBL5697120 0.82 MMP13 (0.69) MMP13SLC22A8

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-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US 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 (2 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-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MMP13 1/4885ALDH1A1 3321/4885EGLN1 3963/4885
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885ALDH1A1 1297/4885EGLN1 3292/4885

“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.