SCHEMBL17025843

SCHEMBL17025843

CCOC(=O)c1cnc(NC2(c3cc(F)cc(F)c3)CCCCC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.67
HDAC1 Q13547 20/20 0.67
HDAC2 Q92769 20/20 0.67
HDAC6 Q9UBN7 20/20 0.67

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
SCHEMBL18742560 0.97 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742727 0.94 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6
SCHEMBL16266642 0.89 HDAC3 (0.69) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742438 0.86 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742555 0.85 HDAC6 (0.63) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18712282 0.84 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6
SCHEMBL20491383 0.83 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742534 0.83 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742638 0.83 HDAC6 (0.61) HDAC3HDAC1HDAC2HDAC6
SCHEMBL25575773 0.81 HDAC3 (0.80) HDAC3HDAC1HDAC2HDAC6

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-9884850-B2 Pyrimidine hydroxy amide compounds as HDAC6 selective inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884850-B2 Pyrimidine hydroxy amide compounds as HDAC6 selective inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20170096413-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HDAC6 SELECTIVE INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2017-04-06 US disclosed
US-20170096413-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HDAC6 SELECTIVE INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2017-04-06 US disclosed
US-9464073-B2 Pyrimidine hydroxy amide compounds as HDAC6 selective inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2016-10-11 US disclosed
US-9464073-B2 Pyrimidine hydroxy amide compounds as HDAC6 selective inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2016-10-11 US disclosed
US-20150239869-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HDAC6 SELECTIVE INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2015-08-27 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-20150239869-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HDAC6 SELECTIVE INHIBITORS HDAC6, HDAC1, HDAC5 HDAC3 7/4885HDAC1 2/4885HDAC2 4/4885
US-20170096413-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HDAC6 SELECTIVE INHIBITORS HDAC6, HDAC1, HDAC5 HDAC3 7/4885HDAC1 2/4885HDAC2 4/4885

“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.