SCHEMBL8738722

SCHEMBL8738722

CCOC(=O)c1cnc(NC2(C)CCCCC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.63
HDAC1 Q13547 7/20 0.63
HDAC2 Q92769 7/20 0.63
HDAC6 Q9UBN7 7/20 0.63
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTR2B P41595 2/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL16644392 0.87 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL18712282 0.80 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL16644394 0.79 ATM (0.46) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL18742534 0.79 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL17025843 0.78 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4730145 0.77 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL30801504 0.77 HDAC1 (0.68) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742543 0.76 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC6
SCHEMBL21480110 0.76 VNN1 (0.56)
SCHEMBL18742411 0.76 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2

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 8 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-20150250786-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-09-10 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 (4 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-20150250786-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC3 5/4885HDAC1 2/4885HDAC2 4/4885
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.