SCHEMBL6288668

SCHEMBL6288668

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPT P10636 3/20 0.39
P2RX7 Q99572 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL6291881 0.91 MAPT (0.46) MMP13L3MBTL1MKNK1MKNK2MAPT
SCHEMBL6288533 0.88 MMP13 (0.57) MMP13L3MBTL1SLC22A8
SCHEMBL6288447 0.84 MMP13 (0.58) MMP13SLC22A8
SCHEMBL6288444 0.84 MMP13 (0.46) MMP13P2RX7
SCHEMBL6291472 0.83 MMP13 (0.46) MMP13L3MBTL1MKNK1MKNK2P2RX7
SCHEMBL6291902 0.83 MMP13 (0.58) MMP13MKNK1MKNK2MAPTP2RX7
SCHEMBL6288445 0.82 MMP13 (0.60) MMP13
SCHEMBL6167628 0.80 MMP13 (0.53) MMP13MAPTSLC22A8
SCHEMBL6291414 0.80 MMP13 (0.61) MMP13MAPTP2RX7SLC22A8
SCHEMBL6288453 0.80 L3MBTL1 (0.49) MMP13L3MBTL1P2RX7

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 5/4885L3MBTL1 3891/4885POLB 677/4885

“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.