SCHEMBL4730872

SCHEMBL4730872

O=C(NO)c1cnc(NC2(Cc3ccccc3)CC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 1.00
HDAC3 O15379 19/20 1.00
HDAC1 Q13547 19/20 1.00
HDAC2 Q92769 19/20 1.00
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56

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
SCHEMBL18742670 0.85 HDAC3 (0.73) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL18742456 0.78 HDAC3 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL4730434 0.77 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL18742624 0.76 HDAC3 (0.61) HDAC6HDAC3HDAC1HDAC2
SCHEMBL4730012 0.76 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC11
SCHEMBL4730187 0.75 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL4730060 0.75 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16636217 0.74 HDAC3 (0.72) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL4729765 0.74 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL4730222 0.73 HDAC3 (0.85) HDAC6HDAC3HDAC1HDAC2HDAC4

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 1/4885HDAC3 8/4885HDAC1 2/4885
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC3 8/4885HDAC1 2/4885
US-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC3 8/4885HDAC1 2/4885

“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.