SCHEMBL6167628

SCHEMBL6167628

O=c1c2cc(C#CCc3ccccc3)ccc2ccn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.53
DDR1 Q08345 2/20 0.45
SLC22A8 Q8TCC7 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CFTR P13569 1/20 0.37

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
SCHEMBL6169612 0.91 MAPT (0.53) MMP13DDR1MAPTKDM4EALDH1A1
SCHEMBL6167249 0.90 MMP13 (0.56) MMP13SLC22A8
SCHEMBL5697042 0.88 MMP13 (0.67) MMP13SLC22A8MAPTKDM4EALDH1A1
SCHEMBL5697153 0.84 MMP13 (0.68) MMP13SLC22A8
SCHEMBL6168071 0.84 MMP13 (0.54) MMP13
SCHEMBL6167891 0.84 MMP13 (0.47) MMP13DDR1SLC22A8KDM4EALDH1A1
SCHEMBL5696920 0.83 MMP13 (0.55) MMP13SLC22A8KDM4EALDH1A1SMN1; SMN2
SCHEMBL5696907 0.83 MMP13 (0.68) MMP13SLC22A8MAPTALDH1A1SMN1; SMN2
SCHEMBL6220405 0.83 MMP13 (0.58) MMP13MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6167805 0.82 MMP13 (0.56) MMP13DDR1SLC22A8

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 4 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-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 1/4885DDR1 499/4885SLC22A8 1909/4885
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885DDR1 4542/4885SLC22A8 1532/4885

“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.