SCHEMBL16644402

SCHEMBL16644402

CCOC(=O)c1cnc(NC2(C(C)C)CCN(C(=O)OCC)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.62
HDAC3 O15379 6/20 0.62
HDAC2 Q92769 6/20 0.62
HDAC6 Q9UBN7 6/20 0.62
RAB9A P51151 1/20 0.42
VNN1 O95497 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 1/20 0.39
LMNA P02545 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
P2RY12 Q9H244 3/20 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
SCHEMBL16644397 0.92 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC6VNN1
SCHEMBL16644400 0.92 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC6VNN1
SCHEMBL16644350 0.90 HDAC1 (0.78) HDAC1HDAC3HDAC2HDAC6RAB9A
SCHEMBL16632393 0.89 HDAC3 (0.77) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16644349 0.84 HDAC6 (0.53) HDAC1HDAC3HDAC2HDAC6RAB9A
SCHEMBL23518825 0.80 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC6MAPT
SCHEMBL16644384 0.79 HDAC3 (0.66) HDAC1HDAC3HDAC2HDAC6VNN1
SCHEMBL16644607 0.78 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16644394 0.77 ATM (0.46) HDAC1HDAC3HDAC2HDAC6VNN1
SCHEMBL16632337 0.77 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6

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 4 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
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.