SCHEMBL3533684

SCHEMBL3533684

COc1ccc2nc(C=CC(=O)NO)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 17/20 1.00
HDAC1 Q13547 10/20 1.00
HDAC6 Q9UBN7 8/20 1.00
HDAC2 Q92769 7/20 1.00
HDAC3 O15379 6/20 1.00
HDAC4 P56524 4/20 1.00
HDAC7 Q8WUI4 3/20 1.00
HDAC10 Q969S8 3/20 1.00
HDAC11 Q96DB2 3/20 1.00
HDAC9 Q9UKV0 3/20 1.00
HDAC5 Q9UQL6 3/20 1.00
NCOR2 Q9Y618 1/20 0.54

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
SCHEMBL3533682 1.00 HDAC8 (1.00) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL3529705 0.85 HDAC8 (0.73) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL3529700 0.85 HDAC8 (0.73) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL3590247 0.83 HDAC1 (0.71) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL3590241 0.83 HDAC1 (0.71) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL30209641 0.83 HDAC8 (0.71) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL29597329 0.81 HDAC8 (0.66) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL3534471 0.81 HDAC1 (0.67) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL3534466 0.81 HDAC1 (0.67) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL23751548 0.80 HDAC8 (0.66) HDAC8HDAC1HDAC6HDAC2HDAC3

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 6 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-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

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-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 HDAC8 4/4885HDAC1 1/4885HDAC6 10/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC8 4/4885HDAC1 1/4885HDAC6 10/4885

“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.