SCHEMBL4739262

SCHEMBL4739262

O=C(CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 1.00
HDAC4 P56524 14/20 1.00
HDAC1 Q13547 14/20 1.00
HDAC7 Q8WUI4 14/20 1.00
HDAC2 Q92769 14/20 1.00
HDAC10 Q969S8 14/20 1.00
HDAC11 Q96DB2 14/20 1.00
HDAC8 Q9BY41 14/20 1.00
HDAC6 Q9UBN7 14/20 1.00
HDAC9 Q9UKV0 14/20 1.00
HDAC5 Q9UQL6 14/20 1.00
PDGFRB P09619 5/20 0.88
RAF1 P04049 5/20 0.88
KDR P35968 3/20 0.88
ARAF P10398 2/20 0.88
BRAF P15056 2/20 0.88
GSK3B P49841 2/20 0.79
MEN1 O00255 1/20 0.72
PLK4 O00444 1/20 0.72
CIT O14578 1/20 0.72

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
SCHEMBL4741339 0.95 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8147438 0.94 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4740234 0.94 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737113 0.94 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737096 0.94 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3707691 0.90 RAF1 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4335529 0.90 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737847 0.88 KDR (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22001800 0.88 RAF1 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13471762 0.88 RAF1 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.