Sugi Predict

Sugi Predict / Compounds / SCHEMBL1663186

SCHEMBL1663186

SCHEMBL1663186

O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CN5CCCC5)c4)cc3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.58
▸ HDAC3 O15379 9/20 0.58
▸ HDAC4 P56524 9/20 0.58
▸ HDAC1 Q13547 9/20 0.58
▸ HDAC7 Q8WUI4 9/20 0.58
▸ HDAC2 Q92769 9/20 0.58
▸ HDAC10 Q969S8 9/20 0.58
▸ HDAC11 Q96DB2 9/20 0.58
▸ HDAC8 Q9BY41 9/20 0.58
▸ HDAC9 Q9UKV0 9/20 0.58
▸ HDAC5 Q9UQL6 9/20 0.58
▸ LSS P48449 1/20 0.50
▸ CYP2D6 P10635 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.43

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
SCHEMBL1618890 0.93 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1618021 0.92 HDAC6 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1662237 0.91 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1663314 0.88 HDAC1 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1617703 0.86 HDAC3 (0.58) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1665544 0.85 HDAC3 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1662073 0.84 HDAC3 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1617493 0.84 HDAC1 (0.73) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1662852 0.84 HDAC3 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1619070 0.84 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 — — US disclosed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 — — US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 — — US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 — — US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 — — US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 — — US disclosed
US-8097611-B2 Sulfonyl-derivatives as novel or histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-01-17 — — US disclosed
US-8097611-B2 Sulfonyl-derivatives as novel or histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-01-17 — — US disclosed
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase VAN EMELEN KRISTOF 2010-09-23 — — US disclosed
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase VAN EMELEN KRISTOF 2010-09-23 — — US disclosed
US-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 — — US disclosed
US-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 — — US disclosed
US-20090270419-A1 COMBINATIONS OF CLASS-I SPECIFIC HISTONE DEACETYLASE INHIBITORS WITH PROTEASOME INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 — — US disclosed
US-20090270419-A1 COMBINATIONS OF CLASS-I SPECIFIC HISTONE DEACETYLASE INHIBITORS WITH PROTEASOME INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 — — US disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 — — US disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 — — US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 — — US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 — — US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 — — US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 — — 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 (6 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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC6 8/4885HDAC3 1/4885HDAC4 6/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC6 8/4885HDAC3 1/4885HDAC4 6/4885
US-20090270419-A1 COMBINATIONS OF CLASS-I SPECIFIC HISTONE DEACETYLASE INHIBITORS WITH PROTEASOME INHIBITORS HDAC1, PSME1, PSMB1 HDAC6 4/4885HDAC3 33/4885HDAC4 14/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 HDAC6 7/4885HDAC3 1/4885HDAC4 6/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC6 8/4885HDAC3 1/4885HDAC4 6/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 HDAC6 5/4885HDAC3 3/4885HDAC4 11/4885

“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.