SCHEMBL3464600

SCHEMBL3464600

NCCCCCn1c(Sc2cc3c(cc2I)OCO3)nc(C(N)=O)c1N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.57
HSP90AB1 P08238 5/20 0.52
CDC37 Q16543 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
TRAP1 Q12931 3/20 0.46

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
SCHEMBL3464776 0.89 HSP90AA1 (0.57) HSP90AA1HSP90AB1CDC37TRAP1
SCHEMBL3465053 0.86 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDC37HDAC3HDAC4
SCHEMBL3464820 0.86 HSP90AA1 (0.53) HSP90AA1HSP90AB1CDC37TRAP1
SCHEMBL3463881 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1CDC37HDAC3HDAC4
SCHEMBL3465260 0.84 HSP90AA1 (0.64) HSP90AA1HSP90AB1TRAP1
SCHEMBL3465678 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1
SCHEMBL3464443 0.81 HSP90AA1 (0.49) HSP90AA1HSP90AB1CDC37TRAP1
SCHEMBL3464437 0.79 HSP90AA1 (0.46) HSP90AA1HSP90AB1TRAP1
SCHEMBL3466170 0.76 HSP90AA1 (0.54) HSP90AA1HSP90AB1TRAP1
SCHEMBL15970576 0.76 HSP90AB1 (0.78) HSP90AA1HSP90AB1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US claimed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885CDC37 15/4885

“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.