SCHEMBL10144841

SCHEMBL10144841

CCOC(=O)c1cnc(N2CCC(CNC(=O)c3ccc4ccccc4c3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.53
MAOB P27338 2/20 0.53
DGAT2 Q96PD7 1/20 0.49
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
P2RY12 Q9H244 2/20 0.49
DKK1 O94907 1/20 0.49
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
CHRM4 P08173 1/20 0.46

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
SCHEMBL10144845 0.86 BCHE (0.59) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL10175547 0.85 HDAC6 (0.62) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL13538789 0.83 P2RY12 (0.46) DGAT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10194575 0.83 F10 (0.52) BCHEMAOBHDAC3HDAC4HDAC1
SCHEMBL13535033 0.79 MEN1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10194552 0.79 ACACB (0.45) DGAT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9883521 0.78 HDAC1 (0.45) DGAT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10175644 0.78 BCHE (0.47) BCHEMAOBDGAT2HDAC3HDAC4
SCHEMBL9883532 0.78 HDAC1 (0.50) DGAT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9883517 0.78 HDAC1 (0.44) DGAT2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 US disclosed
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 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 (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-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 BCHE 1878/4885MAOB 413/4885DGAT2 4266/4885
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 BCHE 1878/4885MAOB 413/4885DGAT2 4266/4885

“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.