SCHEMBL8205684

SCHEMBL8205684

COc1ccc(N(C)c2nc(OCCC(=O)NO)nc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.65
HDAC8 Q9BY41 11/20 0.65
HDAC6 Q9UBN7 11/20 0.65
HDAC3 O15379 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
EGFR P00533 2/20 0.55
PDGFRB P09619 2/20 0.55
KDR P35968 2/20 0.55

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
SCHEMBL8213706 0.95 HDAC1 (0.72) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL4737106 0.94 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL4737144 0.93 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL4787633 0.93 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL14067212 0.91 EGFR (0.58) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL14067214 0.90 EGFR (0.59) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL3960004 0.87 HDAC1 (0.60) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL3963494 0.86 HDAC1 (0.60) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL3954468 0.86 HDAC1 (0.60) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL3962758 0.86 HDAC1 (0.58) HDAC1HDAC8HDAC6HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036057-A1 ANTIPROLIFERATIVE AGENTS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 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
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

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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 HDAC1 1/4885HDAC8 4/4885HDAC6 2/4885

“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.