SCHEMBL9995339

SCHEMBL9995339

CN(C)CC(=CC(=O)NCCOc1ccc(C(=O)NO)cc1)c1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
NCOR2 Q9Y618 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 2/20 0.46
MMP13 P45452 1/20 0.46
UTS2R Q9UKP6 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL9995335 1.00 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL443884 0.86 SMN1; SMN2 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL443882 0.86 SMN1; SMN2 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL443883 0.86 SMN1; SMN2 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL4834405 0.86 SMN1; SMN2 (0.52) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL8282225 0.85 SMN1; SMN2 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL4828381 0.85 SMN1; SMN2 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL4837020 0.84 HPGD (0.51) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL14181486 0.84 HPGD (0.51) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL4867445 0.84 HPGD (0.51) HDAC3HDAC1HDAC2HDAC6HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF LES LABORATOIRES SERVIER SAS (FR) 2014-11-20 US claimed
US-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. (US) 2011-12-22 US claimed
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. 2019-06-20 US disclosed
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof PHARMACYCLICS LLC (US) 2018-10-23 US disclosed
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. 2017-11-23 US disclosed
US-9492423-B2 Formulations of histone deacetylase inhibitor in combination with bendamustine and uses thereof PHARMACYCLICS LLC (US) 2016-11-15 US disclosed
US-9403032-B2 Formulations of histone deacetylase inhibitor and uses therof PHARMACYCLICS LLC (US) 2016-08-02 US disclosed
US-20150335609-A1 COMBINATIONS OF HISTONE DEACETYLASE INHIBITOR AND PAZOPANIB AND USES THEREOF PHARMACYCLICS LLC 2015-11-26 US disclosed
US-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF PHARMACYCLICS LLC 2015-06-18 US disclosed
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF LES LABORATOIRES SERVIER SAS (FR) 2014-11-20 US disclosed
US-20140057862-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF PHARMACYCLICS, INC. (US) 2014-02-27 US disclosed
US-8603521-B2 Formulations of histone deacetylase inhibitor and uses thereof PHARMACYCLICS, INC. (US) 2013-12-10 US disclosed
US-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. (US) 2011-12-22 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 (8 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-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HDAC3 7/4885HDAC1 1/4885HDAC2 5/4885
US-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF HDAC1, HDAC2, HDAC8 HDAC3 5/4885HDAC1 1/4885HDAC2 2/4885
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HDAC3 7/4885HDAC1 1/4885HDAC2 5/4885
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF HDAC5, HDAC7, HDAC4 HDAC3 11/4885HDAC1 7/4885HDAC2 8/4885
US-20140057862-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF HDAC1, HDAC2, HDAC8 HDAC3 5/4885HDAC1 1/4885HDAC2 2/4885
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof HDAC1, HDAC7, HDAC5 HDAC3 7/4885HDAC1 1/4885HDAC2 5/4885
US-20150335609-A1 COMBINATIONS OF HISTONE DEACETYLASE INHIBITOR AND PAZOPANIB AND USES THEREOF HDAC3, HDAC5, HDAC4 HDAC3 1/4885HDAC1 4/4885HDAC2 10/4885
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HDAC3 7/4885HDAC1 1/4885HDAC2 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.