SCHEMBL6286878

SCHEMBL6286878

CC(C)(C)OC(=O)c1ccc(Cn2cc3cc(C#CCc4ccccc4)ccc3cc2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.50
SLC22A8 Q8TCC7 1/20 0.42
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
P2RX7 Q99572 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL6291414 0.90 MMP13 (0.61) MMP13SLC22A8BRD4BRD2BRD3
SCHEMBL6288447 0.86 MMP13 (0.58) MMP13SLC22A8BRD4BRD2BRD3
SCHEMBL6818379 0.85 MMP13 (0.40) MMP13SLC22A8GABRA1GABRG2GABRB3
SCHEMBL5697142 0.83 MMP13 (0.58) MMP13SLC22A8CRHBPCRHR2GABRA1
SCHEMBL6287173 0.82 TET2 (0.35) MMP13SIRT2SIRT1GABRA1GABRG2
SCHEMBL6288435 0.82 MMP13 (0.51) MMP13
SCHEMBL6291886 0.81 MMP13 (0.51) MMP13P2RX7MAPT
SCHEMBL5697258 0.80 MMP13 (0.57) MMP13SLC22A8CRHBPCRHR2GABRA1
SCHEMBL6288533 0.80 MMP13 (0.57) MMP13SLC22A8TP53FFAR1FFAR4
SCHEMBL6288668 0.79 MMP13 (0.45) MMP13SLC22A8P2RX7MAPT

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 989/4885CRHBP 4512/4885

“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.