SCHEMBL1732736

SCHEMBL1732736

CN1CCN(c2ccc(N(C)C(=O)c3cc4c(CC5CC5)n[nH]c4cc3O)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.79
HSP90AB1 P08238 18/20 0.79

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
SCHEMBL1732911 0.97 HSP90AA1 (0.84) HSP90AA1HSP90AB1
SCHEMBL1733492 0.96 HSP90AA1 (0.85) HSP90AA1HSP90AB1
SCHEMBL1734553 0.91 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL1732956 0.91 HSP90AA1 (0.93) HSP90AA1HSP90AB1
SCHEMBL1733028 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL1734501 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL1734041 0.88 HSP90AA1 (0.84) HSP90AA1HSP90AB1
SCHEMBL1733476 0.88 HSP90AA1 (0.83) HSP90AA1HSP90AB1
SCHEMBL1733716 0.88 HSP90AA1 (0.70) HSP90AA1HSP90AB1
SCHEMBL1732993 0.87 HSP90AA1 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722903-B2 Indazole derivatives for the treatment of HSP9O-induced diseases MERCK PATENT GMBH (DE) 2014-05-13 US claimed
EP-2035391-B1 INDAZOLE DERIVATIVES FOR TREATING HSP90-INDUCED DISEASES MERCK PATENT GMBH (DE) 2011-11-23 EP claimed
US-20090197882-A1 INDAZOLE DERIVATIVES FOR THE TREATMENT OF HSP90-INDUCED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US claimed
US-8722903-B2 Indazole derivatives for the treatment of HSP9O-induced diseases MERCK PATENT GMBH (DE) 2014-05-13 US disclosed
EP-2035391-B1 INDAZOLE DERIVATIVES FOR TREATING HSP90-INDUCED DISEASES MERCK PATENT GMBH (DE) 2011-11-23 EP disclosed
US-20090197882-A1 INDAZOLE DERIVATIVES FOR THE TREATMENT OF HSP90-INDUCED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 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-20090197882-A1 INDAZOLE DERIVATIVES FOR THE TREATMENT OF HSP90-INDUCED DISEASES HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 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.