SCHEMBL16644392

SCHEMBL16644392

CCOC(=O)c1cnc(NC2(C)CCNCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.47
HDAC3 O15379 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
OPRM1 P35372 1/20 0.39
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL8738722 0.87 HDAC3 (0.63) HDAC1HDAC3HDAC2HDAC6RAB9A
SCHEMBL16644349 0.84 HDAC6 (0.53) HDAC1HDAC3HDAC2HDAC6OPRM1
SCHEMBL16632207 0.81 HDAC3 (0.55) HDAC1HDAC3HDAC2HDAC6OPRM1
SCHEMBL16644394 0.77 ATM (0.46) HDAC1HDAC3HDAC2HDAC6MAPT
SCHEMBL17830863 0.75 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC6RAB9A
SCHEMBL12939730 0.73 PTGER4 (0.46) RAB9AVNN1
SCHEMBL16626820 0.73 VNN1 (0.64) HDAC1HDAC3HDAC2HDAC6VNN1
SCHEMBL19779315 0.73 VNN1 (0.59) VNN1
SCHEMBL16644393 0.73 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC6KDM4E
SCHEMBL18742543 0.72 HDAC3 (0.61) HDAC1HDAC3HDAC2HDAC6VNN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055299-B1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS INC (US) 2021-01-06 EP disclosed
US-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2016-09-29 US disclosed
US-9278963-B2 Pyrimidine hydroxy amide compounds as histone deacetylase inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
WO-2015054474-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 WO disclosed
US-20150105384-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 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 (2 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-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 11/4885HDAC2 3/4885
US-20150105384-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 11/4885HDAC2 3/4885

“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.