SCHEMBL646532

SCHEMBL646532

CN(Cc1ccccc1OCC(N)=O)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.49
HSP90AB1 P08238 1/20 0.39
GLA P06280 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 6/20 0.38
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2A1 Q16548 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
SCHEMBL644657 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1GLAKDM4ESMN1; SMN2
SCHEMBL645488 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1GLASMN1; SMN2NPSR1
SCHEMBL646597 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1SMN1; SMN2GAA
SCHEMBL646699 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1SMN1; SMN2GAA
SCHEMBL645309 0.90 HSP90AA1 (0.47) HSP90AA1HSP90AB1SMN1; SMN2KMT2A
SCHEMBL10180014 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1KDM4ESMN1; SMN2LMNA
SCHEMBL646871 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1KDM4EGAA
SCHEMBL646642 0.87 HSP90AA1 (0.52) HSP90AA1HSP90AB1SMN1; SMN2LMNA
SCHEMBL646252 0.87 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL644884 0.86 HSP90AA1 (0.47) 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 2/4885HSP90AB1 1/4885GLA 4183/4885

“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.