SCHEMBL13045355

SCHEMBL13045355

Cc1ccc(OCCNC(=O)c2oc3ccccc3c2CN(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.80
HDAC1 Q13547 2/20 0.80
HDAC2 Q92769 2/20 0.80
HDAC10 Q969S8 2/20 0.80
HDAC8 Q9BY41 2/20 0.80
HDAC6 Q9UBN7 2/20 0.80
HDAC4 P56524 1/20 0.80
HDAC7 Q8WUI4 1/20 0.80
HDAC11 Q96DB2 1/20 0.80
HDAC9 Q9UKV0 1/20 0.80
HDAC5 Q9UQL6 1/20 0.80
NCOR2 Q9Y618 1/20 0.80
LMNA P02545 6/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.52
NPC1 O15118 3/20 0.50

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
SCHEMBL16223109 0.90 HDAC3 (0.80) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL13029066 0.90 HDAC3 (0.84) HDAC3HDAC1HDAC2HDAC10HDAC8
Abexinostat SCHEMBL29489677 0.89 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL13029067 0.89 HDAC3 (0.82) HDAC3HDAC1HDAC2HDAC10HDAC8
Potassium Ion SCHEMBL443346 0.89 HDAC3 (0.82) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL443345 0.89 HDAC3 (0.82) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL14933674 0.89 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL443054 0.89 HDAC3 (0.82) HDAC3HDAC1HDAC2HDAC10HDAC8
Abexinostat SCHEMBL444280 0.89 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL15992081 0.89 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834054-B2 Use of the histone deacetylase inhibitor N-hydroxy-4-[2-(3-dimethylaminobenzofuran-2-ylcarbonylamino)ethoxy]benzamide (aka CRA-24781, PCI-24781) for treating myelogenous leukemia (MML) or acute myelogenous leukemia (AML), optionally in combination therapy PHARMACYCLICS, INC. (US) 2010-11-16 US disclosed
US-20090220454-A1 Use of the histone deacetylase inhibitor N-hydroxy-4-[2-(3-dimethylaminobenzofuran-2-ylcarbonylamino)ethoxy]benzamide (aka CRA-24781, PCI-24781) for treating myelogenous leukemia (MML) or acute myelogenous leukemia (AML), optionally in combination therapy PHARMACYCLICS, INC. (US) 2009-09-03 US disclosed
US-20080004331-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition PHARMACYCLICS, INC. (US) 2008-01-03 US disclosed
US-20070293540-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition PHARMACYCLICS, INC. 2007-12-20 US disclosed
US-7276612-B2 For hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides PHARMACYCLICS, INC. (US) 2007-10-02 US 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-20070293540-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition HDAC3, HDAC1, CDC25C HDAC3 1/4885HDAC1 2/4885HDAC2 13/4885
US-20090220454-A1 Use of the histone deacetylase inhibitor N-hydroxy-4-[2-(3-dimethylaminobenzofuran-2-ylcarbonylamino)ethoxy]benzamide (aka CRA-24781, PCI-24781) for treating myelogenous leukemia (MML) or acute myelogenous leukemia (AML), optionally in combination therapy HDAC8, HDAC3, HDAC1 HDAC3 2/4885HDAC1 3/4885HDAC2 10/4885
US-20080004331-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition HDAC3, HDAC1, CDC25C HDAC3 1/4885HDAC1 2/4885HDAC2 13/4885

“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.