SCHEMBL5508931

SCHEMBL5508931

O=C(NO)c1cnc(N2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.56
HDAC3 O15379 15/20 0.56
HDAC1 Q13547 15/20 0.56
HDAC2 Q92769 15/20 0.56
HDAC4 P56524 14/20 0.56
HDAC7 Q8WUI4 14/20 0.56
HDAC10 Q969S8 14/20 0.56
HDAC11 Q96DB2 14/20 0.56
HDAC8 Q9BY41 14/20 0.56
HDAC9 Q9UKV0 14/20 0.56
HDAC5 Q9UQL6 14/20 0.56
KDM1A O60341 1/20 0.50
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5504026 0.88 HDAC3 (0.63) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5507121 0.87 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2
SCHEMBL5507110 0.79 P2RY12 (0.59)
SCHEMBL12933023 0.78 HDAC3 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5503694 0.78 ALDH1A1 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL12932997 0.76 L3MBTL1 (0.61) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5525151 0.75 GAA (0.60) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL12143948 0.75 HDAC1 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL7467929 0.75 ALDH1A1 (0.77) ALDH1A1POLBSMN1; SMN2
SCHEMBL12684570 0.74 HDAC3 (0.59) HDAC6HDAC3HDAC1HDAC2HDAC4

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 HDAC6 6/4885HDAC3 3/4885HDAC1 1/4885
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HDAC6 13/4885HDAC3 2/4885HDAC1 1/4885
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HDAC6 13/4885HDAC3 2/4885HDAC1 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.