SCHEMBL4737096

SCHEMBL4737096

O=C(CCCCCNC(=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 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 1.00
HDAC4 P56524 17/20 1.00
HDAC1 Q13547 17/20 1.00
HDAC7 Q8WUI4 17/20 1.00
HDAC2 Q92769 17/20 1.00
HDAC10 Q969S8 17/20 1.00
HDAC11 Q96DB2 17/20 1.00
HDAC8 Q9BY41 17/20 1.00
HDAC6 Q9UBN7 17/20 1.00
HDAC9 Q9UKV0 17/20 1.00
HDAC5 Q9UQL6 17/20 1.00
PDGFRB P09619 4/20 1.00
KDR P35968 4/20 1.00
RAF1 P04049 2/20 1.00
ARAF P10398 1/20 1.00
BRAF P15056 1/20 1.00
GSK3B P49841 1/20 0.79

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
SCHEMBL4740234 1.00 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737113 1.00 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8147438 0.99 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4741339 0.97 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4739262 0.94 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4347362 0.91 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4442402 0.91 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4342506 0.91 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21973628 0.90 RAF1 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21973819 0.89 RAF1 (0.80) 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.