SCHEMBL4729665

SCHEMBL4729665

O=C(NO)c1cnc(NC2CCOCC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 1.00
HDAC1 Q13547 13/20 1.00
HDAC3 O15379 12/20 1.00
HDAC2 Q92769 12/20 1.00
MAPK1 P28482 5/20 0.58
HDAC8 Q9BY41 1/20 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
SCHEMBL16048668 0.84 HDAC3 (0.73) HDAC6HDAC1HDAC3HDAC2MAPK1
SCHEMBL4729918 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13736219 0.83 HDAC3 (0.71) HDAC6HDAC1HDAC3HDAC2MAPK1
SCHEMBL4729704 0.82 HDAC6 (0.73) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL17624689 0.78 HDAC3 (0.64) HDAC6HDAC1HDAC3HDAC2MAPK1
SCHEMBL1256168 0.77 MAPK1 (0.69) HDAC6HDAC1HDAC3HDAC2MAPK1
SCHEMBL29730384 0.74 MAPK1 (1.00) HDAC6HDAC1HDAC3HDAC2MAPK1
SCHEMBL19144932 0.74 MAPK1 (1.00) HDAC6HDAC1HDAC3HDAC2MAPK1
SCHEMBL185452 0.72 HCAR3 (0.64) HDAC6HDAC1HDAC3HDAC2MAPK1
SCHEMBL4730700 0.72 HDAC1 (0.57) HDAC6HDAC1HDAC3HDAC2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2017-04-06 US disclosed
EP-3067346-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF Acetylon Pharmaceuticals, Inc. (US) 2016-09-14 EP disclosed
US-9409890-B2 Pyrimidine hydroxy amide compounds as protein deacetylase inhibitors and methods of use thereof ACETYLON PHARAMCEUTICALS, INC. (US) 2016-08-09 US disclosed
EP-2640709-B1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS INC (US) 2016-04-06 EP disclosed
US-20140142104-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2014-05-22 US disclosed
WO-2012068109-A2 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2012-05-17 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 (3 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-20140142104-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 8/4885
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 8/4885
US-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 8/4885

“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.