SCHEMBL4729588

SCHEMBL4729588

COc1ccc(Nc2ncc(C(=O)NO)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 1.00
HDAC6 Q9UBN7 16/20 1.00
HDAC3 O15379 15/20 1.00
HDAC2 Q92769 15/20 1.00
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CHEK1 O14757 1/20 0.55
NTRK2 Q16620 1/20 0.55

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
SCHEMBL4730352 0.85 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2
SCHEMBL3634270 0.85 HDAC3 (0.74) HDAC1HDAC6HDAC3HDAC2CA1
SCHEMBL4729558 0.83 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2
SCHEMBL4730581 0.80 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2
SCHEMBL4729941 0.80 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2
SCHEMBL3698385 0.80 HDAC6 (1.00) HDAC1HDAC6HDAC3HDAC2
SCHEMBL11461135 0.78 HDAC3 (0.63) HDAC1HDAC6HDAC3HDAC2CHEK1
SCHEMBL27717813 0.77 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC2CHEK1
SCHEMBL14499163 0.77 PTK2 (0.62) HDAC1HDAC6HDAC3HDAC2CHEK1
SCHEMBL8739793 0.77 HDAC3 (1.00) HDAC1HDAC6HDAC3HDAC2

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 6 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
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 HDAC1 2/4885HDAC6 1/4885HDAC3 8/4885
US-20120121502-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC1 2/4885HDAC6 1/4885HDAC3 8/4885
US-20170096403-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC1 2/4885HDAC6 1/4885HDAC3 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.