SCHEMBL1064411

SCHEMBL1064411

Nc1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 1.00
HDAC3 O15379 7/20 1.00
HDAC2 Q92769 4/20 1.00
HDAC8 Q9BY41 3/20 1.00
HDAC6 Q9UBN7 3/20 1.00
HDAC4 P56524 2/20 1.00
HDAC7 Q8WUI4 2/20 1.00
HDAC10 Q969S8 2/20 1.00
HDAC11 Q96DB2 2/20 1.00
HDAC9 Q9UKV0 2/20 1.00
HDAC5 Q9UQL6 2/20 1.00
JAK2 O60674 1/20 0.65
PIK3CA P42336 1/20 0.64
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPK1 P28482 2/20 0.59
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
KCNH2 Q12809 2/20 0.57
NCOR2 Q9Y618 1/20 0.57

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
SCHEMBL8077840 0.89 HDAC1 (0.80) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4262028 0.88 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1065275 0.88 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4262022 0.88 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2107670 0.87 HDAC1 (0.82) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2828860 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2830015 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5031015 0.84 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5224545 0.83 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3558274 0.82 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC8HDAC6

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495002-B1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-05 EP claimed
EP-1495002-B1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2005-08-04 US disclosed
CN-1642915-A Benzamide derivatives useful as inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
EP-1495002-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Astrazeneca AB (SE) 2005-01-12 EP disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (4 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-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 HDAC1 2/4885HDAC3 1/4885HDAC2 5/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 HDAC1 2/4885HDAC3 1/4885HDAC2 5/4885

“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.