SCHEMBL4729649

SCHEMBL4729649

O=C(NO)c1cnc(NCc2cccnc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 1.00
HDAC1 Q13547 10/20 1.00
HDAC2 Q92769 10/20 1.00
HDAC6 Q9UBN7 10/20 1.00
VNN1 O95497 10/20 0.69

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
SCHEMBL19779254 0.85 VNN1 (0.77) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL4730012 0.85 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL8739314 0.84 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL20185756 0.82 VNN1 (1.00) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL6569317 0.79 LMNA (0.72) HDAC3HDAC1HDAC2HDAC6
SCHEMBL19779312 0.79 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL4729496 0.78 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL2120263 0.78 LTA4H (0.65) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL23094488 0.77 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL4730177 0.77 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6VNN1

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 HDAC3 8/4885HDAC1 2/4885HDAC2 5/4885
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC3 8/4885HDAC1 2/4885HDAC2 5/4885
US-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC3 8/4885HDAC1 2/4885HDAC2 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.