SCHEMBL14769055

SCHEMBL14769055

C=C(NO)c1ccc(OCCNC(=O)c2oc3ccccc3c2CN(C)C)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.84
HDAC2 Q92769 3/20 0.84
HDAC3 O15379 2/20 0.84
HDAC10 Q969S8 2/20 0.84
HDAC8 Q9BY41 2/20 0.84
HDAC6 Q9UBN7 2/20 0.84
HDAC4 P56524 1/20 0.84
HDAC7 Q8WUI4 1/20 0.84
HDAC11 Q96DB2 1/20 0.84
HDAC9 Q9UKV0 1/20 0.84
HDAC5 Q9UQL6 1/20 0.84
NCOR2 Q9Y618 1/20 0.84
LMNA P02545 7/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 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
Abexinostat SCHEMBL29489677 0.92 HDAC6 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC8
Abexinostat SCHEMBL444280 0.92 HDAC6 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC8
Abexinostat SCHEMBL29544306 0.91 HDAC6 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC8
Abexinostat SCHEMBL14762281 0.91 HDAC6 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL14048655 0.90 HDAC3 (0.79) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4252161 0.89 HDAC1 (0.84) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL13029066 0.89 HDAC3 (0.84) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL443054 0.88 HDAC3 (0.82) HDAC1HDAC2HDAC3HDAC10HDAC8
Potassium Ion SCHEMBL443346 0.88 HDAC3 (0.82) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL443345 0.88 HDAC3 (0.82) HDAC1HDAC2HDAC3HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313671-A1 NEW SALT OF ABEXINOSTAT, ASSOCIATED CRYSTALLINE FORM, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACYCLICS, INC. 2017-11-02 US disclosed
US-9421208-B2 Methods for the treatment of solid tumors PHARMACYCLICS LLC (US) 2016-08-23 US disclosed
US-20150315167-A1 NEW SALT OF ABEXINOSTAT, ASSOCIATED CRYSTALLINE FORM, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACYCLICS, INC. 2015-11-05 US disclosed
US-9115108-B2 Salt of abexinostat, associated crystalline form, a process for their preparation and pharmaceutical compositions containing them PHARMACYCLICS, INC. (US) 2015-08-25 US disclosed
US-20150038513-A1 ASSOCIATION BETWEEN N-HYDROXY-4-BENZAMIDE AND FOLFOX PHARMACYCLICS LLC 2015-02-05 US disclosed
US-20150038518-A1 METHODS FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2015-02-05 US disclosed
US-20150024040-A1 ADMINISTRATION REGIME FOR N-HYDROXY-4-BENZAMIDE PHARMACYCLICS LLC 2015-01-22 US disclosed
US-8883199-B2 Administration regime for N-hydroxy-4-{2-[3-(N,N-dimethylaminomethyl)benzofuran-2- ylcarbonylamino]ethoxy}benzamide LES LABORATOIRES SERVIER (FR) 2014-11-11 US disclosed
US-20140249215-A1 NEW SALT OF ABEXINOSTAT, ASSOCIATED CRYSTALLINE FORM, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACYCLICS (US) 2014-09-04 US disclosed
US-20130064880-A1 ADMINISTRATION REGIME FOR N-HYDROXY-4-BENZAMIDE PHARMACYCLICS, INC. 2013-03-14 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 (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-20150038518-A1 METHODS FOR THE TREATMENT OF SOLID TUMORS HDAC1, HDAC4, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC3 4/4885
US-20130064880-A1 ADMINISTRATION REGIME FOR N-HYDROXY-4-BENZAMIDE FOLR2, SLC19A1, FOLR1 HDAC1 305/4885HDAC2 405/4885HDAC3 673/4885
US-20150038513-A1 ASSOCIATION BETWEEN N-HYDROXY-4-BENZAMIDE AND FOLFOX FOLR2, FOLR1, SLC10A2 HDAC1 344/4885HDAC2 349/4885HDAC3 394/4885
US-20150315167-A1 NEW SALT OF ABEXINOSTAT, ASSOCIATED CRYSTALLINE FORM, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HAX1, REN, CANX HDAC1 417/4885HDAC2 1779/4885HDAC3 885/4885
US-20170313671-A1 NEW SALT OF ABEXINOSTAT, ASSOCIATED CRYSTALLINE FORM, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HAX1, REN, CANX HDAC1 417/4885HDAC2 1779/4885HDAC3 885/4885
US-20150024040-A1 ADMINISTRATION REGIME FOR N-HYDROXY-4-BENZAMIDE FOLR2, SLC19A1, FOLR1 HDAC1 305/4885HDAC2 405/4885HDAC3 673/4885
US-20140249215-A1 NEW SALT OF ABEXINOSTAT, ASSOCIATED CRYSTALLINE FORM, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HAX1, REN, CANX HDAC1 417/4885HDAC2 1779/4885HDAC3 885/4885

“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.