SCHEMBL6167891

SCHEMBL6167891

O=c1c2cc(C#CCc3ccccc3)ccc2ccn1CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.47
SLC22A8 Q8TCC7 1/20 0.41
DDR1 Q08345 2/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ACHE P22303 1/20 0.35
PSMB1 P20618 2/20 0.33
PSMB2 P49721 2/20 0.33
PSMB5 P28074 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL6167932 0.87 MMP13 (0.45) MMP13SLC22A8DDR1FFAR1FFAR4
SCHEMBL6169980 0.86 MMP13 (0.45) MMP13SLC22A8FFAR1FFAR4ACHE
SCHEMBL6167249 0.85 MMP13 (0.56) MMP13SLC22A8ACHE
SCHEMBL6169894 0.84 MMP13 (0.43) MMP13SLC22A8DDR1FFAR1FFAR4
SCHEMBL6167628 0.84 MMP13 (0.53) MMP13SLC22A8DDR1KDM4EALDH1A1
SCHEMBL6169612 0.83 MAPT (0.53) MMP13DDR1KDM4EALDH1A1
SCHEMBL5697042 0.82 MMP13 (0.67) MMP13SLC22A8KDM4EALDH1A1HPGD
SCHEMBL5696920 0.81 MMP13 (0.55) MMP13SLC22A8KDM4EALDH1A1
SCHEMBL6178058 0.81 MMP13 (0.49) MMP13SLC22A8DDR1FFAR1FFAR4
SCHEMBL6180019 0.80 MMP13 (0.51) MMP13SLC22A8PSMB1PSMB2PSMB5

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 1532/4885DDR1 4542/4885

“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.