SCHEMBL10278744

SCHEMBL10278744

CCN(CCCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCCC2)cc1)CCOC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.44
HSP90B1 P14625 3/20 0.44
TRAP1 Q12931 3/20 0.44
HSP90AB1 P08238 9/20 0.43
PDK1 Q15118 1/20 0.43
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HDAC9 Q9UKV0 1/20 0.38
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL10278705 0.96 HSP90AA1 (0.45) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL10278707 0.90 HSP90AA1 (0.41) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL501334 0.90 HSP90AA1 (0.48) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL10278747 0.89 HSP90AA1 (0.47) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL500811 0.88 HSP90AA1 (0.51) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL10278215 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL1863722 0.85 HSP90AA1 (0.48) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL28130338 0.84 HSP90AA1 (0.59) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL500899 0.84 HSP90AA1 (0.43) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL501115 0.84 HSP90AA1 (0.43) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 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-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90B1 2/4885TRAP1 7/4885

“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.