SCHEMBL4730005

SCHEMBL4730005

O=C(NO)c1cnc(NCc2ccccc2Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 1.00
HDAC1 Q13547 18/20 1.00
HDAC2 Q92769 18/20 1.00
HDAC6 Q9UBN7 18/20 1.00
HDAC8 Q9BY41 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
SCHEMBL4730505 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4729670 0.85 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL3958194 0.85 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18822146 0.83 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4729595 0.81 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4729992 0.80 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4730483 0.80 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4730012 0.79 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL8739540 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL31141660 0.77 HDAC3 (0.81) HDAC3HDAC1HDAC2HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155593-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY REGENACY PHARMACEUTICALS LLC (US) 2021-05-27 US disclosed
US-10858323-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2020-12-08 US disclosed
US-20190106392-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. 2019-04-11 US disclosed
US-10040769-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2018-08-07 US disclosed
WO-2017075192-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. (US) 2017-05-04 WO disclosed
US-20170114023-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. 2017-04-27 US disclosed
US-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2017-04-06 US disclosed
EP-3067346-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF Acetylon Pharmaceuticals, Inc. (US) 2016-09-14 EP disclosed
US-9409890-B2 Pyrimidine hydroxy amide compounds as protein deacetylase inhibitors and methods of use thereof ACETYLON PHARAMCEUTICALS, INC. (US) 2016-08-09 US disclosed
US-20150359794-A1 IMPAIRMENT OF THE LARGE RIBOSOMAL SUBUNIT PROTEIN RPL24 BY DEPLETION OR ACETYLATION BUCK INSTITUTE FOR RESEARCH ON AGING 2015-12-17 US disclosed
US-20150359794-A1 IMPAIRMENT OF THE LARGE RIBOSOMAL SUBUNIT PROTEIN RPL24 BY DEPLETION OR ACETYLATION BUCK INSTITUTE FOR RESEARCH ON AGING 2015-12-17 US disclosed
US-20140142104-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2014-05-22 US disclosed
WO-2012068109-A2 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2012-05-17 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 (9 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-20210155593-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY HDAC4, HDAC5, HDAC9 HDAC3 7/4885HDAC1 4/4885HDAC2 5/4885
US-20140142104-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC3 8/4885HDAC1 2/4885HDAC2 5/4885
US-20170114023-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY HDAC4, HDAC5, HDAC9 HDAC3 7/4885HDAC1 4/4885HDAC2 5/4885
US-10040769-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy HDAC4, HDAC5, HDAC9 HDAC3 7/4885HDAC1 4/4885HDAC2 5/4885
US-20190106392-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY HDAC4, HDAC5, HDAC9 HDAC3 7/4885HDAC1 4/4885HDAC2 5/4885
US-10858323-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy HDAC4, HDAC5, HDAC9 HDAC3 7/4885HDAC1 4/4885HDAC2 5/4885
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC3 8/4885HDAC1 2/4885HDAC2 5/4885
US-20150359794-A1 IMPAIRMENT OF THE LARGE RIBOSOMAL SUBUNIT PROTEIN RPL24 BY DEPLETION OR ACETYLATION RPL24, RPS24, RPL26 HDAC3 44/4885HDAC1 7/4885HDAC2 34/4885
US-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC3 8/4885HDAC1 2/4885HDAC2 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.