SCHEMBL4480998

SCHEMBL4480998

Nc1nccc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCC(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 1.00
HSP90AB1 P08238 5/20 1.00
CDC37 Q16543 1/20 0.70
HSP90B1 P14625 1/20 0.68
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66

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
SCHEMBL4900367 1.00 HSP90AA1 (1.00) HSP90AA1HSP90AB1CDC37HSP90B1HDAC3
SCHEMBL8204526 0.93 HSP90AA1 (0.87) HSP90AA1HSP90AB1CDC37HDAC3HDAC4
SCHEMBL8153203 0.93 HSP90AA1 (0.87) HSP90AA1HSP90AB1CDC37HDAC3HDAC4
SCHEMBL8158943 0.92 HSP90AA1 (0.85) HSP90AA1HSP90AB1CDC37HSP90B1HDAC3
SCHEMBL8213303 0.92 HSP90AA1 (1.00) HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL4137525 0.92 HSP90AA1 (1.00) HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL8152895 0.91 HSP90AA1 (0.84) HSP90AA1HSP90AB1CDC37HSP90B1HDAC3
SCHEMBL4903377 0.91 HSP90AA1 (1.00) HSP90AA1HSP90AB1CDC37HDAC3HDAC4
SCHEMBL4147201 0.91 HSP90AA1 (1.00) HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL8217114 0.90 HSP90AA1 (0.84) HSP90AA1HSP90AB1CDC37HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 US disclosed
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 US disclosed
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 US disclosed
WO-2008115262-A2 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-09-25 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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 (2 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 HSP90AA1 417/4885HSP90AB1 157/4885CDC37 269/4885
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885CDC37 9/4885

“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.