SCHEMBL5697240

SCHEMBL5697240

N#Cc1cccc(Cn2ccc3ccc(C#CCc4ccccc4)cc3c2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.57
ADORA2A P29274 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DDR1 Q08345 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CFTR P13569 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
SCHEMBL6167249 0.89 MMP13 (0.56) MMP13SLC22A8
SCHEMBL5696920 0.86 MMP13 (0.55) MMP13ALDH1A1L3MBTL1KDM4ESLC22A8
SCHEMBL5696907 0.86 MMP13 (0.68) MMP13ALDH1A1HTTSLC22A8
SCHEMBL6248267 0.84 MMP13 (0.48) MMP13ADORA2AALDH1A1L3MBTL1CYP19A1
SCHEMBL6169612 0.83 MAPT (0.53) MMP13ALDH1A1DDR1KDM4E
SCHEMBL6168071 0.83 MMP13 (0.54) MMP13
SCHEMBL5697042 0.83 MMP13 (0.67) MMP13ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL6178058 0.81 MMP13 (0.49) MMP13ALDH1A1DDR1KDM4EGLA
SCHEMBL6178075 0.81 PIK3R1 (0.46) ADORA2AALDH1A1DDR1L3MBTL1KDM4E
SCHEMBL5697153 0.81 MMP13 (0.68) 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 1/4885ADORA2A 1135/4885ALDH1A1 3321/4885
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885ADORA2A 3921/4885ALDH1A1 1297/4885

“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.