SCHEMBL4337436

SCHEMBL4337436

O=C(Nc1ccc(Oc2ccnc(CCl)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.73
HDAC4 P56524 10/20 0.73
HDAC1 Q13547 10/20 0.73
HDAC7 Q8WUI4 10/20 0.73
HDAC2 Q92769 10/20 0.73
HDAC10 Q969S8 10/20 0.73
HDAC11 Q96DB2 10/20 0.73
HDAC8 Q9BY41 10/20 0.73
HDAC6 Q9UBN7 10/20 0.73
HDAC9 Q9UKV0 10/20 0.73
HDAC5 Q9UQL6 10/20 0.73
KDR P35968 6/20 0.72
RAF1 P04049 6/20 0.72
PDGFRB P09619 3/20 0.70
BRAF P15056 2/20 0.69
GSK3B P49841 2/20 0.69
MEN1 O00255 1/20 0.69
PLK4 O00444 1/20 0.69
CIT O14578 1/20 0.69
AURKA O14965 1/20 0.69

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
SCHEMBL4342542 0.92 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4340280 0.91 RAF1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL938130 0.89 RAF1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14943781 0.89 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3711970 0.87 RAF1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12848167 0.85 RAF1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4344749 0.85 RAF1 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29543439 0.85 RAF1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14067062 0.85 HDAC3 (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL936533 0.85 RAF1 (0.73) KDRRAF1PDGFRBBRAFGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136809-A2 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2009-12-30 EP disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
WO-2008115263-A2 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-09-25 WO disclosed
WO-2008115263-A2 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-09-25 WO disclosed
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 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
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 HDAC3 7/4885HDAC4 5/4885HDAC1 1/4885
US-20080234332-A1 RAF KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY BRAF, RAF1, BAZ2B HDAC3 76/4885HDAC4 23/4885HDAC1 6/4885

“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.