SCHEMBL6178346

SCHEMBL6178346

O=C(O)c1ccc(Cn2ccc3ccc(C#CCn4ccnn4)cc3c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.56
SLC22A8 Q8TCC7 1/20 0.41
CYP19A1 P11511 2/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TBXAS1 P24557 1/20 0.34
PDPK1 O15530 1/20 0.34
STING1 Q86WV6 1/20 0.34

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
SCHEMBL6177228 0.87 MMP13 (0.43) MMP13SLC22A8CYP19A1PDPK1
SCHEMBL6243125 0.86 MMP13 (0.47) MMP13SLC22A8
SCHEMBL5697271 0.84 MMP13 (0.57) MMP13SLC22A8CYP19A1TBXAS1
SCHEMBL5697294 0.84 MMP13 (0.77) MMP13SLC22A8CYP19A1TBXAS1
SCHEMBL6287821 0.83 MMP13 (0.45) MMP13SLC22A8CYP19A1TBXAS1
SCHEMBL5697153 0.81 MMP13 (0.68) MMP13SLC22A8
SCHEMBL6245986 0.75 EGLN1 (0.38) MMP13
SCHEMBL6168334 0.73 SLC22A12 (0.46) MMP13EPHX2NR1H4TBXAS1
SCHEMBL6291865 0.73 MMP13 (0.39) MMP13
SCHEMBL5697090 0.73 MMP13 (0.73) MMP13

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539709-A1 AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP claimed
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP claimed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US claimed
US-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US claimed
WO-2004014866-A1 AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
WO-2004014379-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6977261-B2 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-20 US disclosed
US-6974822-B2 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-13 US disclosed
EP-1539709-A1 AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US disclosed
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US disclosed
US-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004014866-A1 AZAISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 (4 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-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP1 MMP13 1/4885SLC22A8 1934/4885CYP19A1 953/4885
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885SLC22A8 1532/4885CYP19A1 1088/4885
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 MMP13 2/4885SLC22A8 547/4885CYP19A1 1997/4885
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 MMP13 1/4885SLC22A8 454/4885CYP19A1 1374/4885

“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.