SCHEMBL13735705

SCHEMBL13735705

O=C(O)Nc1cc(C2=CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 0.46
HDAC1 Q13547 13/20 0.46
HDAC3 O15379 7/20 0.46
ACMSD Q8TDX5 2/20 0.46
ABCB1 P08183 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ABCC1 P33527 1/20 0.39

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
SCHEMBL13833546 0.83 HDAC2 (0.47) HDAC2HDAC1HDAC3ACMSDABCB1
SCHEMBL13735048 0.80 HDAC2 (0.71) HDAC2HDAC1HDAC3ACMSD
SCHEMBL25447049 0.79 MAPT (0.49) HDAC2HDAC1HDAC3ACMSDKDM4E
SCHEMBL13734951 0.79 HDAC2 (0.70) HDAC2HDAC1HDAC3
SCHEMBL30868525 0.76 SIRT6 (0.49) HDAC2HDAC1HDAC3ACMSDABCB1
SCHEMBL9083468 0.75 ACMSD (0.56) HDAC2HDAC1HDAC3ACMSDABCB1
SCHEMBL13735446 0.75 TDP1 (0.49) HDAC2HDAC1HDAC3ACMSDALDH1A1
SCHEMBL30867956 0.75 TDP1 (0.49) HDAC2HDAC1HDAC3ACMSDALDH1A1
SCHEMBL30868397 0.73 ALDH1A1 (0.51) ACMSDALDH1A1
SCHEMBL13737286 0.72 HDAC2 (0.60) HDAC2HDAC1HDAC3ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 US disclosed
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-9890172-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2018-02-13 US disclosed
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HOWARD HUGHES MEDICAL INSTITUTE 2018-01-18 US disclosed
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2017-08-03 US disclosed
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE THE GENERAL HOSPITAL CORP D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2016-12-01 US disclosed
US-9447030-B2 Inhibitors of histone deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2016-09-01 US disclosed
US-9365498-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2016-06-14 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
EP-2701699-A1 INHIBITORS OF HISTONE DEACETYLASE The Broad Institute, Inc. (US) 2014-03-05 EP disclosed
WO-2012149540-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE INC (US) 2012-11-01 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 (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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HDAC2 1/4885HDAC1 2/4885HDAC3 7/4885
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 HDAC2 1/4885HDAC1 2/4885HDAC3 7/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC2 1/4885HDAC1 2/4885HDAC3 7/4885
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 HDAC2 1/4885HDAC1 2/4885HDAC3 7/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC2 1/4885HDAC1 2/4885HDAC3 7/4885
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885HDAC3 9/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HDAC2 1/4885HDAC1 2/4885HDAC3 7/4885
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC1 1/4885HDAC3 9/4885
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 HDAC2 1/4885HDAC1 2/4885HDAC3 7/4885

“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.