SCHEMBL10097844

SCHEMBL10097844

CCOC(=O)c1cnc(N2CCN(CC(/C=C/c3ccccc3)N3C(=O)c4ccccc4C3=O)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.56
HDAC4 P56524 18/20 0.56
HDAC1 Q13547 18/20 0.56
HDAC7 Q8WUI4 18/20 0.56
HDAC2 Q92769 18/20 0.56
HDAC10 Q969S8 18/20 0.56
HDAC11 Q96DB2 18/20 0.56
HDAC8 Q9BY41 18/20 0.56
HDAC6 Q9UBN7 18/20 0.56
HDAC9 Q9UKV0 18/20 0.56
HDAC5 Q9UQL6 18/20 0.56
OGA O60502 1/20 0.41
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10097875 0.90 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10097893 0.88 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10097912 0.87 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10097898 0.87 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12295709 0.85 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8238355 0.84 P2RY12 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10097856 0.84 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12295708 0.83 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10087312 0.81 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12295717 0.81 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078896-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2015-07-14 US disclosed
US-9078896-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2015-07-14 US disclosed
US-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2014-05-15 US disclosed
US-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2014-05-15 US disclosed
US-8664223-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V (BE) 2014-03-04 US disclosed
US-8664223-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V (BE) 2014-03-04 US disclosed
US-20130143898-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-06 US disclosed
US-20130143898-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-06 US disclosed
US-8114876-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-8114876-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-20090143401-A1 Pyridine and Pyrimidine Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-04 US disclosed
US-20090143401-A1 Pyridine and Pyrimidine Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-04 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 (3 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-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC4 8/4885HDAC1 1/4885
US-20090143401-A1 Pyridine and Pyrimidine Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC4 8/4885HDAC1 1/4885
US-20130143898-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC4 8/4885HDAC1 1/4885

“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.