SCHEMBL6288426

SCHEMBL6288426

CC(C)(C)OC(=O)c1ccc(Cn2cc3cc(C#CCn4ccnn4)ncc3cc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.37
OGFOD1 Q8N543 1/20 0.37
TET1 Q8NFU7 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
F11 P03951 1/20 0.34
EP300 Q09472 4/20 0.32
KLKB1 P03952 1/20 0.31
SMO Q99835 1/20 0.31
MMP13 P45452 2/20 0.30
RHEB Q15382 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL6291865 0.88 MMP13 (0.39) EP300KLKB1MMP13
SCHEMBL6287173 0.88 TET2 (0.35) TET2OGFOD1TET1EGLN2EGLN1
SCHEMBL6245986 0.86 EGLN1 (0.38) TET2OGFOD1TET1EGLN2EGLN1
SCHEMBL6177228 0.76 MMP13 (0.43) TET2OGFOD1TET1EGLN2EGLN1
SCHEMBL6288640 0.76 MAPK10 (0.38) F11SMORHEB
SCHEMBL6287821 0.74 MMP13 (0.45) EP300MMP13
SCHEMBL6243125 0.74 MMP13 (0.47) EGLN1MMP13
SCHEMBL6288435 0.73 MMP13 (0.51) MMP13
SCHEMBL6291887 0.70 MAPK10 (0.39) RHEB
SCHEMBL6818379 0.69 MMP13 (0.40) TET2OGFOD1TET1EGLN2EGLN1

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
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 TET2 1217/4885OGFOD1 424/4885TET1 1102/4885

“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.