SCHEMBL3465181

SCHEMBL3465181

NC(=O)CCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 14/20 0.76
HSP90AA1 P07900 16/20 0.73
TRAP1 Q12931 4/20 0.71
ERBB2 P04626 2/20 0.71
HSP90B1 P14625 1/20 0.71
HDAC3 O15379 2/20 0.70
HDAC4 P56524 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC7 Q8WUI4 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
HDAC9 Q9UKV0 2/20 0.70
HDAC5 Q9UQL6 2/20 0.70

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
SCHEMBL29581212 0.96 HSP90AA1 (0.74) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL12990283 0.96 HSP90AA1 (0.74) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL15610030 0.95 HSP90AA1 (0.73) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL18203283 0.91 HSP90AA1 (0.67) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL3463753 0.90 HSP90AB1 (0.72) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL13194122 0.90 HSP90AA1 (0.65) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL12989896 0.90 HSP90AA1 (0.70) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL8153232 0.89 HSP90AA1 (0.85) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL15970090 0.89 HSP90AB1 (0.81) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL14067080 0.88 HSP90AB1 (0.87) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1

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 3 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 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

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 HSP90AB1 1/4885HSP90AA1 3/4885TRAP1 19/4885

“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.