SCHEMBL2226568

SCHEMBL2226568

O=C(CCCCCCNC(=O)c1cnc(NC(c2ccc(F)cc2)c2ccc(F)cc2)nc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 1.00
HDAC1 Q13547 6/20 0.65
HDAC3 O15379 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
NCOR2 Q9Y618 1/20 0.53

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
SCHEMBL1366883 0.80 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC2
SCHEMBL2225070 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2228145 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2226572 0.77 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2225757 0.77 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2225175 0.75 HDAC6 (1.00) HDAC6
SCHEMBL2225762 0.75 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2227930 0.73 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2224925 0.72 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2228180 0.72 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110300134-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-12-08 US claimed
WO-2011091213-A2 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-07-28 WO claimed
US-10648038-B2 Biomarkers to identify patients that will respond to treatment and treating such patients ACETYLON PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
US-20200030325-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof ACETYLON PHARMACEUTICALS, INC. 2020-01-30 US disclosed
EP-2839037-B1 BIOMARKERS TO IDENTIFY PATIENTS THAT WILL RESPOND TO TREATMENT AND TREATING SUCH PATIENTS ACETYLON PHARMACEUTICALS INC (US) 2018-12-26 EP disclosed
US-20170327895-A1 Biomarkers To Identify Patients That Will Respond To Treatment And Treating Such Patients ACETYLON PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-20170305866-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-9663825-B2 Biomarkers to identify patients that will respond to treatment and treating such patients ACETYLON PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9512083-B2 Histone deacetylase 6 selective inhibitors for the treatment of bone disease THE GENERAL HOSPITAL CORPORATION (US) 2016-12-06 US disclosed
EP-3091004-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF Acetylon Pharmaceuticals, Inc. (US) 2016-11-09 EP disclosed
EP-3091004-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF Acetylon Pharmaceuticals, Inc. (US) 2016-11-09 EP disclosed
EP-2526093-B1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS INC (US) 2016-08-17 EP disclosed
EP-2526093-B1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS INC (US) 2016-08-17 EP disclosed
US-20150045380-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS 2015-02-12 US disclosed
US-20140378385-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease THE GENERAL HOSPITAL CORPORATION (US) 2014-12-25 US disclosed
US-20140142117-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2014-05-22 US disclosed
WO-2013158984-A1 BIOMARKERS TO IDENTIFY PATIENTS THAT WILL RESPOND TO TREATMENT AND TREATING SUCH PATIENTS ACETYLON PHARMACEUTICALS, INC. (US) 2013-10-24 WO disclosed
US-8394810-B2 Reverse amide compounds as protein deacetylase inhibitors and methods of use thereof ACETYLON PHARMACEUTICALS (US) 2013-03-12 US disclosed
WO-2013013113-A2 HISTONE DEACETYLASE 6 SELECTIVE INHIBITORS FOR THE TREATMENT OF BONE DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2013-01-24 WO disclosed
WO-2011091213-A2 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-07-28 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 (6 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-20110300134-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885HDAC3 3/4885
US-20150045380-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885HDAC3 3/4885
US-20140378385-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease HDAC1, HDAC6, HDAC9 HDAC6 2/4885HDAC1 1/4885HDAC3 10/4885
US-20200030325-A1 Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885HDAC3 3/4885
US-20170305866-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease HDAC1, HDAC6, HDAC9 HDAC6 2/4885HDAC1 1/4885HDAC3 10/4885
US-20140142117-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885HDAC3 3/4885

“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.