SCHEMBL6288533

SCHEMBL6288533

O=c1cc2ccc(C#CCc3ccccc3)cc2cn1Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.57
SLC22A8 Q8TCC7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6291472 0.90 MMP13 (0.46) MMP13L3MBTL1MAPK14SMN1; SMN2
SCHEMBL6288444 0.89 MMP13 (0.46) MMP13
SCHEMBL6288668 0.88 MMP13 (0.45) MMP13SLC22A8L3MBTL1
SCHEMBL6288447 0.87 MMP13 (0.58) MMP13SLC22A8FFAR1FFAR4
SCHEMBL6291902 0.85 MMP13 (0.58) MMP13KMT2ASMN1; SMN2TP53
SCHEMBL6288445 0.85 MMP13 (0.60) MMP13
SCHEMBL6291881 0.83 MAPT (0.46) MMP13L3MBTL1SMN1; SMN2TP53
SCHEMBL6291414 0.82 MMP13 (0.61) MMP13SLC22A8KMT2ATP53
SCHEMBL6288453 0.82 L3MBTL1 (0.49) MMP13L3MBTL1
SCHEMBL6286878 0.80 MMP13 (0.50) MMP13SLC22A8FFAR1FFAR4TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US claimed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6974822-B2 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-13 US disclosed
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS 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-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors MMP1, MMP9, MMP3 MMP13 5/4885SLC22A8 989/4885L3MBTL1 3891/4885

“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.