SCHEMBL6288963

SCHEMBL6288963

O=C1Nc2nc(C#CCc3ccccc3)oc2C(=O)C1Cc1ccc(F)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.31
TACR2 P21452 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6288791 0.78 HDAC2 (0.34) HDAC2HDAC8HDAC6
SCHEMBL6289384 0.66 KDM4C (0.33)
SCHEMBL6289383 0.65 MAOB (0.35) HDAC2HDAC8HDAC6
SCHEMBL6289332 0.65 ALDH1A1 (0.34)
SCHEMBL17917605 0.64 DAO (0.43) SIRT2HDAC2HDAC8HDAC6
SCHEMBL6288793 0.64 ALDH1A1 (0.33)
SCHEMBL6292735 0.64 MMP13 (0.35)
SCHEMBL6700340 0.64 MMP13 (0.44)
SCHEMBL6703297 0.64 MMP13 (0.42)
SCHEMBL6288744 0.61 KDM4C (0.34)

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-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC 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 (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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 GRM5 2727/4885TACR2 3548/4885SIRT2 1898/4885

“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.