SCHEMBL10256331

SCHEMBL10256331

C=C(C)c1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 14/20 0.47
HSP90B1 P14625 7/20 0.46
HSP90AA1 P07900 3/20 0.41
RXRA P19793 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAOB P27338 1/20 0.39
SLC6A9 P48067 1/20 0.38

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
SCHEMBL383689 0.93 TRAP1 (0.46) TRAP1HSP90B1HSP90AA1HSP90AB1MAOB
SCHEMBL10256155 0.85 TRAP1 (0.44) TRAP1HSP90B1RXRA
SCHEMBL12659989 0.85 TRAP1 (0.50) TRAP1HSP90B1HSP90AA1RXRAHSP90AB1
SCHEMBL10256200 0.85 TRAP1 (0.43) TRAP1HSP90B1RXRASLC6A9
SCHEMBL383146 0.84 SLC6A9 (0.41) TRAP1HSP90B1HSP90AA1RXRAHSP90AB1
SCHEMBL383682 0.83 TRAP1 (0.48) TRAP1HSP90B1HSP90AA1HSP90AB1SLC6A9
SCHEMBL12660067 0.82 PTGER1 (0.40) TRAP1HSP90B1HSP90AA1SLC6A9
SCHEMBL15000764 0.82 NAMPT (0.42) TRAP1HSP90B1HSP90AA1RXRAHSP90AB1
SCHEMBL10256156 0.81 BCHE (0.44) TRAP1HSP90B1
SCHEMBL15000765 0.81 TMEM97 (0.38) TRAP1HSP90B1HSP90AA1MAOBSLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2015-02-12 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-8530469-B2 Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2013-09-10 US disclosed
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2012-10-04 US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 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 (4 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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P TRAP1 14/4885HSP90B1 12/4885HSP90AA1 1/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 TRAP1 34/4885HSP90B1 5/4885HSP90AA1 3/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A TRAP1 1626/4885HSP90B1 86/4885HSP90AA1 105/4885
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 TRAP1 26/4885HSP90B1 5/4885HSP90AA1 3/4885

“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.