SCHEMBL13736744

SCHEMBL13736744

Nc1ccccc1NC(=O)n1cc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.50
HDAC2 Q92769 17/20 0.50
HDAC3 O15379 13/20 0.50
MAPK1 P28482 1/20 0.50
HDAC6 Q9UBN7 8/20 0.47
HDAC10 Q969S8 7/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC4 P56524 6/20 0.47
HDAC7 Q8WUI4 6/20 0.47
HDAC11 Q96DB2 6/20 0.47
HDAC9 Q9UKV0 6/20 0.47
HDAC5 Q9UQL6 6/20 0.47
NCOR2 Q9Y618 4/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PTGS1 P23219 1/20 0.43

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
SCHEMBL13737420 0.82 PTGS1 (0.54) HDAC1HDAC2HDAC3MAPK1HDAC6
SCHEMBL704778 0.79 TAS1R3 (0.55) NPC1RAB9A
SCHEMBL15522656 0.77 HDAC2 (0.62) HDAC1HDAC2HDAC3
SCHEMBL3709539 0.76 MAPT (0.50) NPC1RAB9APTGS1
SCHEMBL705032 0.74 TAS1R3 (0.59) NPC1RAB9A
SCHEMBL1520011 0.73 HDAC1 (0.44) HDAC1HDAC2HDAC3MAPK1HDAC6
SCHEMBL3071688 0.73 HDAC3 (0.64) HDAC1HDAC2HDAC3MAPK1HDAC6
SCHEMBL9515806 0.73 NPC1 (0.67) HDAC1HDAC2HDAC3MAPK1HDAC6
SCHEMBL250263 0.73 HDAC3 (0.64) HDAC1HDAC2HDAC3MAPK1HDAC6
SCHEMBL31174164 0.73 HDAC3 (0.64) HDAC1HDAC2HDAC3MAPK1HDAC6

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 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20160347761-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 9/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20170217955-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 9/4885
US-20180016282-A9 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 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.