SCHEMBL645341

SCHEMBL645341

COc1cccc(CN(C)S(=O)(=O)c2cc(-c3nnc(O)n3-c3ccccc3C)c(O)cc2O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.44
HSP90AB1 P08238 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL645831 0.93 HSP90AA1 (0.51) HSP90AA1HSP90AB1KMT2AGAA
SCHEMBL647531 0.92 HSP90AA1 (0.49) HSP90AA1HSP90AB1SMN1; SMN2HTTKDM4E
SCHEMBL644577 0.92 HSP90AA1 (0.46) HSP90AA1HSP90AB1SMN1; SMN2HTTKDM4E
SCHEMBL644896 0.89 HSP90AA1 (0.45) HSP90AA1HSP90AB1KDM4EALDH1A1MEN1
SCHEMBL645307 0.86 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL646860 0.86 HSP90AA1 (0.42) HSP90AA1HSP90AB1SMN1; SMN2KDM4EALDH1A1
SCHEMBL644635 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL645798 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1HTTALDH1A1
SCHEMBL646377 0.85 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL644205 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1SMN1; SMN2

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 2/4885HSP90AB1 1/4885SMN1; SMN2 3736/4885

“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.