SCHEMBL10194643

SCHEMBL10194643

O=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.73
HDAC3 O15379 16/20 0.73
HDAC1 Q13547 16/20 0.73
HDAC2 Q92769 16/20 0.73
HDAC4 P56524 15/20 0.73
HDAC7 Q8WUI4 15/20 0.73
HDAC10 Q969S8 15/20 0.73
HDAC11 Q96DB2 15/20 0.73
HDAC8 Q9BY41 15/20 0.73
HDAC9 Q9UKV0 15/20 0.73
HDAC5 Q9UQL6 15/20 0.73
CYP2D6 P10635 2/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C19 P33261 1/20 0.73
KCNH2 Q12809 1/20 0.52
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE5A O76074 1/20 0.45

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
SCHEMBL12933261 0.94 HDAC6 (0.70) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL10194451 0.94 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8250443 0.92 HDAC3 (0.81) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL10194454 0.91 HDAC6 (0.68) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL10194633 0.89 HDAC3 (0.60) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL10194641 0.88 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL10194584 0.86 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL10194631 0.85 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL10194642 0.85 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL10194627 0.85 HDAC8 (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-8513237-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-20 US disclosed
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-12 US disclosed
US-8163733-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 US disclosed
US-8163733-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 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-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-16 US disclosed
US-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-16 US disclosed
US-7767679-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-03 US disclosed
US-7767679-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-03 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-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HDAC6 11/4885HDAC3 2/4885HDAC1 1/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC6 6/4885HDAC3 3/4885HDAC1 1/4885
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 HDAC6 11/4885HDAC3 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.