SCHEMBL2465121

SCHEMBL2465121

Nc1cc(-c2cccnc2)ccc1NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.57
HDAC1 Q13547 7/20 0.54
HDAC2 Q92769 6/20 0.54
HDAC3 O15379 4/20 0.54
MKNK1 Q9BUB5 6/20 0.51
MKNK2 Q9HBH9 6/20 0.51
KMO O15229 1/20 0.50
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48

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
SCHEMBL651882 0.83 HDAC1 (0.57) ABCB1HDAC1HDAC2HDAC3
SCHEMBL7467565 0.82 AAK1 (0.61) ABCB1HDAC1HDAC2HDAC3MKNK2
SCHEMBL29530597 0.81 AAK1 (0.52) ABCB1HDAC1HDAC2HDAC3MKNK1
SCHEMBL2133767 0.81 AAK1 (0.52) ABCB1HDAC1HDAC2HDAC3MKNK1
SCHEMBL15522475 0.79 HDAC2 (0.55) HDAC1HDAC2HDAC3PIM1PIM2
SCHEMBL7466534 0.79 ABCB1 (0.64) ABCB1
SCHEMBL28842381 0.78 HDAC1 (0.49) ABCB1HDAC1HDAC2HDAC3MKNK1
SCHEMBL13522906 0.78 MKNK1 (0.60) MKNK1MKNK2KMOPIM1PIM2
SCHEMBL13735378 0.77 HDAC1 (0.52) ABCB1HDAC1HDAC2HDAC3
SCHEMBL15397972 0.76 HDAC1 (0.69) 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 17 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-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080800-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
EP-2367599-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY Massachusetts Institute of Technology (US) 2011-09-28 EP disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 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 ABCB1 3579/4885HDAC1 2/4885HDAC2 1/4885
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 ABCB1 3579/4885HDAC1 2/4885HDAC2 1/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 ABCB1 3579/4885HDAC1 2/4885HDAC2 1/4885
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 ABCB1 3579/4885HDAC1 2/4885HDAC2 1/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 ABCB1 3579/4885HDAC1 2/4885HDAC2 1/4885
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 ABCB1 3468/4885HDAC1 1/4885HDAC2 2/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 ABCB1 3579/4885HDAC1 2/4885HDAC2 1/4885
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 ABCB1 3468/4885HDAC1 1/4885HDAC2 2/4885
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 ABCB1 3579/4885HDAC1 2/4885HDAC2 1/4885

“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.