SCHEMBL646674

SCHEMBL646674

Cc1ccccc1-n1c(O)nnc1-c1cc(S(=O)(=O)N(C)Cc2ccccn2)c(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.43
HSD17B10 Q99714 1/20 0.37
HSP90AB1 P08238 6/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RORC P51449 1/20 0.35
CYP11B2 P19099 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ACHE P22303 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
SCHEMBL647317 0.92 HSP90AA1 (0.52) HSP90AA1HSD17B10GLAMAPTL3MBTL1
SCHEMBL644517 0.91 HSP90AA1 (0.49) HSP90AA1HSD17B10GLAMAPTL3MBTL1
SCHEMBL646611 0.90 HSP90AA1 (0.41) HSP90AA1HSD17B10HSP90AB1
SCHEMBL644249 0.90 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL645783 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAPTKMT2AMEN1
SCHEMBL646963 0.86 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL644537 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL646952 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1MAPT
SCHEMBL644540 0.84 HSP90AA1 (0.43) HSP90AA1HSD17B10HSP90AB1
SCHEMBL4938769 0.84 HSP90AA1 (0.59) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP claimed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US claimed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US claimed
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSD17B10 1432/4885HSP90AB1 1/4885

“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.