SCHEMBL6430868

SCHEMBL6430868

NS(=O)(=O)c1cccc(-n2ccnn2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.38
CA1 P00915 8/20 0.38
CA9 Q16790 7/20 0.38
CA12 O43570 5/20 0.38
CA7 P43166 3/20 0.38
CA5A P35218 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA3 P07451 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
NOTUM Q6P988 2/20 0.36
MAPK1 P28482 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
PTGS2 P35354 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL5602630 0.84 CA2 (0.45) CA2CA1CA9CA12CA7
SCHEMBL5138813 0.80 NOTUM (0.40) CA2CA1CA9CA12CA7
SCHEMBL6430863 0.78 MAP3K5 (0.36) CA2CA1CA9CA12CA7
SCHEMBL6429867 0.76 MAPK9 (0.41) NOTUM
SCHEMBL5326438 0.75 CYP19A1 (0.46) CA2CA1CA9CA12PTGS2
SCHEMBL27895889 0.74 CA2 (0.52) CA2CA1CA9CA12CA7
SCHEMBL11127908 0.72 MYC (0.47) NOTUM
SCHEMBL5138812 0.71 CA1 (0.44) CA2CA1CA9CA12CA7
SCHEMBL1823138 0.70 NOTUM (0.38) CA2CA1CA9NOTUMMAPK1
SCHEMBL10816699 0.70 MAPT (0.50) NOTUMMAPK1MAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT CA2 1349/4885CA1 2846/4885CA9 2140/4885

“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.