SCHEMBL14525256

SCHEMBL14525256

CCCSc1ncc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(OC)c(N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 16/20 0.45
▸ HSP90AB1 P08238 16/20 0.45
▸ APLNR P35414 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 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
SCHEMBL1148565 0.93 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL1148685 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL1147983 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL1147829 0.78 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL1148633 0.75 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL1148518 0.73 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL17166183 0.73 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL3106385 0.71 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL14618263 0.71 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL1148571 0.71 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1

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
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 — — US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 — — US disclosed
US-8629285-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-01-14 — — US disclosed
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 — — 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 (2 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-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885APLNR 4747/4885
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885APLNR 4747/4885

“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.

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