SCHEMBL6288435

SCHEMBL6288435

CC(C)(C)OC(=O)c1ccc(Cn2cc3cc(C#CCn4ccnc4)ccc3cc2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.51
CYP19A1 P11511 10/20 0.40
TBXAS1 P24557 5/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6291867 0.87 MMP13 (0.65) MMP13CYP19A1TBXAS1KDM4EALDH1A1
SCHEMBL5697180 0.86 MMP13 (0.60) MMP13CYP19A1TBXAS1NPC1POLB
SCHEMBL6287173 0.85 TET2 (0.35) MMP13CYP19A1
SCHEMBL6286878 0.82 MMP13 (0.50) MMP13
SCHEMBL6818379 0.80 MMP13 (0.40) MMP13
SCHEMBL6246431 0.78 MMP13 (0.62) MMP13CYP19A1
SCHEMBL6291887 0.74 MAPK10 (0.39) ALDH1A1
SCHEMBL6180033 0.73 MMP13 (0.44) MMP13CYP19A1
SCHEMBL6288426 0.73 TET2 (0.37) MMP13
SCHEMBL6177228 0.72 MMP13 (0.43) MMP13CYP19A1

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
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US 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 5/4885CYP19A1 1152/4885TBXAS1 1491/4885

“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.