SCHEMBL4639732

SCHEMBL4639732

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
P2RY14 Q15391 2/20 0.47
FOXO1 Q12778 1/20 0.43
NAMPT P43490 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL2827986 0.88
SCHEMBL2830416 0.84 NAMPT (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5224101 0.82 F10 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4639850 0.82 P2RY14 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3006555 0.80 NAMPT (0.52) NAMPT
SCHEMBL3558966 0.80 F10 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24890944 0.79 HDAC1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6528319 0.79 HDAC1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2829176 0.79 POLB (0.56) HDAC3HDAC1HDAC2NAMPTF10
SCHEMBL30864182 0.78 HDAC1 (0.70) 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
US-8735429-B2 Benzamide compounds useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2014-05-27 US disclosed
EP-1954690-B1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2013-05-15 EP disclosed
US-20120225907-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-06 US disclosed
US-8207202-B2 N-(2-aminophenyl)-4-{1-[(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide, for example; use as an antiproliferative agent in the prevention or treatment of tumors or other proliferative conditions, which are sensitive to the inhibition of histone deacetylase ASTRAZENECA AB (SE) 2012-06-26 US disclosed
US-8207202-B2 N-(2-aminophenyl)-4-{1-[(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide, for example; use as an antiproliferative agent in the prevention or treatment of tumors or other proliferative conditions, which are sensitive to the inhibition of histone deacetylase ASTRAZENECA AB (SE) 2012-06-26 US disclosed
US-20080269294-A1 N-(2-aminophenyl)-4-{1-[(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide, for example; use as an antiproliferative agent in the prevention or treatment of tumors or other proliferative conditions, which are sensitive to the inhibition of histone deacetylase ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269294-A1 N-(2-aminophenyl)-4-{1-[(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide, for example; use as an antiproliferative agent in the prevention or treatment of tumors or other proliferative conditions, which are sensitive to the inhibition of histone deacetylase ASTRAZENECA AB (SE) 2008-10-30 US disclosed
EP-1954690-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS Astra Zeneca AB (SE) 2008-08-13 EP disclosed
WO-2007045844-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2007-04-26 WO disclosed
WO-2007045844-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2007-04-26 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-20120225907-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC3 5/4885HDAC4 7/4885HDAC1 1/4885
US-20080269294-A1 N-(2-aminophenyl)-4-{1-[(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide, for example; use as an antiproliferative agent in the prevention or treatment of tumors or other proliferative conditions, which are sensitive to the inhibition of histone deacetylase HDAC1, HDAC5, HDAC2 HDAC3 5/4885HDAC4 6/4885HDAC1 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.