SCHEMBL16632207

SCHEMBL16632207

CCOC(=O)c1cnc(NC2(c3ccccc3)CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.55
HDAC1 Q13547 14/20 0.55
HDAC2 Q92769 14/20 0.55
HDAC6 Q9UBN7 14/20 0.55
VNN1 O95497 5/20 0.55
OPRM1 P35372 1/20 0.50
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL16626820 0.92 VNN1 (0.64) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18742534 0.90 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18742411 0.90 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18712282 0.89 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL16677936 0.87 HDAC6 (0.67) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL16677935 0.87 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL17832599 0.86 HDAC1 (0.62) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL16644384 0.85 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL16644404 0.84 HDAC3 (0.69) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL16644382 0.84 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC6VNN1

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 14 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
EP-3055299-B1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS INC (US) 2021-01-06 EP disclosed
US-9833466-B2 Treatment of leukemia with histone deacetylase inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2016-09-29 US disclosed
US-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2016-09-29 US disclosed
EP-3055299-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Acetylon Pharmaceuticals, Inc. (US) 2016-08-17 EP disclosed
US-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2016-05-19 US disclosed
US-9278963-B2 Pyrimidine hydroxy amide compounds as histone deacetylase inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-9278963-B2 Pyrimidine hydroxy amide compounds as histone deacetylase inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-20160030458-A1 TREATMENT OF LEUKEMIA WITH HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS INC. 2016-02-04 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
US-20150105384-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 US disclosed
WO-2015054474-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 WO 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-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS GATAD2B, GATAD2A, HDAC2 HDAC3 22/4885HDAC1 4/4885HDAC2 3/4885
US-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 HDAC3 11/4885HDAC1 1/4885HDAC2 3/4885
US-20150105384-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 HDAC3 11/4885HDAC1 1/4885HDAC2 3/4885
US-20160030458-A1 TREATMENT OF LEUKEMIA WITH HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC2 HDAC3 8/4885HDAC1 1/4885HDAC2 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.