SCHEMBL976915

SCHEMBL976915

Nc1cc(-c2cccs2)ccc1NC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.60
HDAC2 Q92769 19/20 0.60
HDAC3 O15379 16/20 0.60
KCNH2 Q12809 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
SCHEMBL13737014 0.88 HDAC1 (0.77) HDAC1HDAC2HDAC3
SCHEMBL13739084 0.86 HDAC1 (0.57) HDAC1HDAC2HDAC3
SCHEMBL29371288 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3
SCHEMBL196444 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC3
SCHEMBL13735532 0.81 HDAC1 (0.72) HDAC1HDAC2HDAC3
Ammonia Solution, Strong SCHEMBL21835779 0.80 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL651437 0.79 HDAC1 (0.67) HDAC1HDAC2HDAC3KCNH2
SCHEMBL1067257 0.78 ABCB1 (0.63) HDAC1HDAC2HDAC3
SCHEMBL1067260 0.78 ABCB1 (0.63) HDAC1HDAC2HDAC3
SCHEMBL651882 0.78 HDAC1 (0.57) HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4093730-B1 HDAC DEGRADER UNIV LEICESTER (GB) 2024-05-08 EP disclosed
US-11858919-B2 HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP disclosed
US-20230120211-A1 HDAC Degrader UNIVERSITY OF LEICESTER (GB) 2023-04-20 US disclosed
US-11596691-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2023-03-07 US disclosed
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20220033388-A1 HDAC1,2 Inhibitors REGENACY PHARMACEUTICALS, LLC 2022-02-03 US disclosed
EP-3863631-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, Inc. (US) 2021-08-18 EP disclosed
EP-3856174-A1 HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, Inc. (US) 2021-08-04 EP disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 WO disclosed
WO-2007082873-A1 HETEROCYCLYLALKYL DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 8/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20230120211-A1 HDAC Degrader HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC3 3/4885
US-11858919-B2 HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 6/4885
US-20220033388-A1 HDAC1,2 Inhibitors HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 6/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC2 8/4885HDAC3 10/4885
US-11596691-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 HDAC1 2/4885HDAC2 7/4885HDAC3 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.