SCHEMBL3534981

SCHEMBL3534981

O=C(O)/C=C/c1nc2ccccc2o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.72
HDAC4 P56524 2/20 0.72
HDAC1 Q13547 2/20 0.72
HDAC7 Q8WUI4 2/20 0.72
HDAC2 Q92769 2/20 0.72
HDAC10 Q969S8 2/20 0.72
HDAC11 Q96DB2 2/20 0.72
HDAC8 Q9BY41 2/20 0.72
HDAC6 Q9UBN7 2/20 0.72
HDAC9 Q9UKV0 2/20 0.72
HDAC5 Q9UQL6 2/20 0.72
RAB9A P51151 6/20 0.57
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
MEN1 O00255 4/20 0.57
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 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
SCHEMBL3534983 1.00 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3531445 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3531447 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28436050 0.83 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28959773 0.83 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6421503 0.82 SNCA (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6421501 0.82 SNCA (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8631511 0.78 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8631504 0.78 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL156861 0.77 SNCA (0.64) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
EP-1931620-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed
US-20060079528-A1 (E)-3-(1,3-Benzoxazol-2-yl)-N-hydroxy-2-propenamide; Methyl (E)-3-(2-quinolinyl)-2-propenoate; histone deacetylase inhibitors; inflammatory disease; cancer TOPOTARGET UK LIMITED (GB) 2006-04-13 US disclosed
EP-1599449-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-11-30 EP disclosed
WO-2004076386-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-09-10 WO disclosed
US-5188830-A Intravenous administration of Factor XIIIa inhibitor MERCK & CO., INC. (US) 1993-02-23 US disclosed
US-5185149-A Intravenously administering an acyloxiranecarboxylic acid compound factor XIII inhibitor to lyse clots MERCK & CO., INC. (US) 1993-02-09 US disclosed
US-4968494-A FACTOR VIIIA INHIBITOR MERCK & CO., INC. (US) 1990-11-06 US disclosed
EP-0294016-A2 Factor XIIIa inhibitor compounds useful for thrombolytic therapy MERCK & CO. INC. (US) 1988-12-07 EP 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 (3 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-20060079528-A1 (E)-3-(1,3-Benzoxazol-2-yl)-N-hydroxy-2-propenamide; Methyl (E)-3-(2-quinolinyl)-2-propenoate; histone deacetylase inhibitors; inflammatory disease; cancer HDAC1, HDAC11, HDAC5 HDAC3 6/4885HDAC4 8/4885HDAC1 1/4885
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 HDAC3 455/4885HDAC4 1869/4885HDAC1 1189/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC3 7/4885HDAC4 8/4885HDAC1 1/4885

“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.