SCHEMBL3464692

SCHEMBL3464692

CCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(=O)n(COCCOC)cnc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.51
HSP90AB1 P08238 4/20 0.47
TRAP1 Q12931 4/20 0.47
ERBB2 P04626 1/20 0.47
HSP90B1 P14625 1/20 0.47
CDC37 Q16543 1/20 0.42

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
SCHEMBL3465014 0.88 TRAP1 (0.48) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL3465113 0.78 ERBB2 (0.60) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL3463714 0.77 HSP90AA1 (0.59) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL3464696 0.75 ALDH1A1 (0.34) HSP90AA1HSP90AB1ERBB2
SCHEMBL3466047 0.75 HSP90AA1 (0.38) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL3464947 0.74 HSP90AB1 (0.80) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL19262140 0.74 HSP90AB1 (0.78) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL18388884 0.69 HSP90AB1 (0.76) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL3463784 0.68 HSP90AA1 (0.71) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL4135510 0.68 HSP90AA1 (1.00) HSP90AA1HSP90B1CDC37

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 HSP90AA1 3/4885HSP90AB1 1/4885TRAP1 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.