SCHEMBL4730700

SCHEMBL4730700

CC(C)(C)OC(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC2 Q92769 2/20 0.57
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
IDH1 O75874 1/20 0.48
IDH2 P48735 1/20 0.48
ADORA2A P29274 1/20 0.48
USP30 Q70CQ3 1/20 0.47
EPHX1 P07099 1/20 0.46
JAK1 P23458 1/20 0.46
GPR119 Q8TDV5 4/20 0.46
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45

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
SCHEMBL3776289 0.88 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL23185880 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL3774389 0.87 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL3769585 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL30914985 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL31737239 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL30915072 0.84 ALDH1A1 (0.57) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL17762744 0.83 MAPT (0.53) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL4062890 0.83 GPR119 (0.61) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL3782855 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1NPC1MAPTMAPK1

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 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.