SCHEMBL5504026

SCHEMBL5504026

CN(C(=O)N1CCN(c2ncc(C(=O)NO)cn2)CC1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.63
HDAC1 Q13547 15/20 0.63
HDAC2 Q92769 15/20 0.63
HDAC6 Q9UBN7 15/20 0.63
HDAC4 P56524 14/20 0.57
HDAC7 Q8WUI4 14/20 0.57
HDAC10 Q969S8 14/20 0.57
HDAC11 Q96DB2 14/20 0.57
HDAC8 Q9BY41 14/20 0.57
HDAC9 Q9UKV0 14/20 0.57
HDAC5 Q9UQL6 14/20 0.57
KDM4E B2RXH2 2/20 0.57
P2RY12 Q9H244 1/20 0.51
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL5508931 0.88 HDAC6 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16632283 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL12933023 0.76 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5507121 0.75 ALDH1A1 (0.52) KDM4EALDH1A1GAA
SCHEMBL22874133 0.75 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC6
SCHEMBL12932997 0.74 L3MBTL1 (0.61) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5525151 0.74 GAA (0.60) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL12143948 0.73 HDAC1 (0.65) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5656394 0.73 DRD4 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL12486834 0.73 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6HDAC4

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-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-03 US disclosed
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-03 US disclosed
US-8114999-B2 Aminocarbonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-8114999-B2 Aminocarbonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2010-02-25 US disclosed
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2010-02-25 US disclosed
US-7501417-B2 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 US disclosed
US-7501417-B2 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 5/4885
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HDAC3 2/4885HDAC1 1/4885HDAC2 4/4885
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HDAC3 2/4885HDAC1 1/4885HDAC2 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.