SCHEMBL6177578

SCHEMBL6177578

NS(=O)(=O)c1ccc(C(=O)N2C=Cc3ccc(Br)cc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.52
CA1 P00915 19/20 0.52
CA7 P43166 19/20 0.52
CA9 Q16790 19/20 0.52
CA14 Q9ULX7 17/20 0.52
CA12 O43570 14/20 0.52

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
SCHEMBL6246189 0.83 CA1 (0.46) CA2CA1CA7CA9CA14
SCHEMBL6181453 0.80 GPR183 (0.41) CA2CA1
SCHEMBL5697089 0.77 SRD5A1 (0.35) CA2CA1CA9CA14CA12
SCHEMBL5697123 0.76 MMP13 (0.42) CA2CA1CA7CA9CA14
SCHEMBL6179532 0.72 ELANE (0.42)
SCHEMBL27514341 0.72 ALDH1A1 (0.38)
SCHEMBL6247427 0.70 CA1 (0.42) CA2CA1CA7CA9CA14
SCHEMBL9079118 0.66 CA1 (0.44) CA2CA1CA7CA9CA14
SCHEMBL4552418 0.65 P2RX4 (0.45)
SCHEMBL14493373 0.64 CA12 (0.87) CA2CA1CA7CA9CA14

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
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US 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 (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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 CA2 503/4885CA1 1576/4885CA7 1408/4885

“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.