SCHEMBL445507

SCHEMBL445507

O=C(NO)c1ccc(OCCNC(=O)c2oc3ccccc3c2CN2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.68
HDAC1 Q13547 4/20 0.68
HDAC8 Q9BY41 4/20 0.68
HDAC3 O15379 3/20 0.68
HDAC2 Q92769 3/20 0.68
HDAC10 Q969S8 3/20 0.68
NCOR2 Q9Y618 2/20 0.68
HDAC4 P56524 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
KDM4E B2RXH2 4/20 0.51
MCHR1 Q99705 1/20 0.47
LMNA P02545 5/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 4/20 0.43

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
SCHEMBL445415 0.99 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL443177 0.92 HDAC1 (0.67) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL443261 0.91 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL14383959 0.89 KDM4E (0.57) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3664654 0.87 HDAC1 (0.53) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL443250 0.87 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3664385 0.86 HDAC1 (0.53) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL446154 0.85 HDAC3 (0.67) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL4255656 0.84 HDAC3 (0.57) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL443222 0.84 HDAC3 (0.80) HDAC6HDAC1HDAC8HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF LES LABORATOIRES SERVIER SAS (FR) 2014-11-20 US claimed
EP-2755648-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF Pharmacyclics, Inc. (US) 2014-07-23 EP claimed
WO-2013039488-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF PHARMACYCLICS, INC. (US) 2013-03-21 WO claimed
US-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. (US) 2011-12-22 US claimed
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2011-01-27 US claimed
EP-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed
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 claimed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AXYS PHARMACEUTICALS, INC. (US) 2005-08-25 US claimed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. 2019-06-20 US disclosed
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof PHARMACYCLICS LLC (US) 2018-10-23 US disclosed
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. 2017-11-23 US disclosed
US-9492423-B2 Formulations of histone deacetylase inhibitor in combination with bendamustine and uses thereof PHARMACYCLICS LLC (US) 2016-11-15 US disclosed
US-9408816-B2 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS LLC (US) 2016-08-09 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
WO-2006042035-A2 METHOD OF MONITORING ANTI-TUMOR ACTIVITY OF AN HDAC INHIBITOR PHARMACYCLICS, INC. (US) 2006-04-20 WO disclosed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AXYS PHARMACEUTICALS, INC. (US) 2005-08-25 US disclosed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 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 (7 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-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HDAC6 8/4885HDAC1 1/4885HDAC8 6/4885
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HDAC6 8/4885HDAC1 1/4885HDAC8 6/4885
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF HDAC5, HDAC7, HDAC4 HDAC6 5/4885HDAC1 7/4885HDAC8 6/4885
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AADAC, HDAC3, HDAC4 HDAC6 13/4885HDAC1 5/4885HDAC8 7/4885
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof HDAC1, HDAC7, HDAC5 HDAC6 8/4885HDAC1 1/4885HDAC8 6/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HDAC6 8/4885HDAC1 1/4885HDAC8 11/4885
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HDAC6 8/4885HDAC1 1/4885HDAC8 6/4885

“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.