Sugi Predict

Sugi Predict / Compounds / SCHEMBL1663307

SCHEMBL1663307

SCHEMBL1663307

O=C(NO)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.63
▸ HDAC4 P56524 4/20 0.63
▸ HDAC1 Q13547 4/20 0.63
▸ HDAC7 Q8WUI4 4/20 0.63
▸ HDAC2 Q92769 4/20 0.63
▸ HDAC10 Q969S8 4/20 0.63
▸ HDAC11 Q96DB2 4/20 0.63
▸ HDAC8 Q9BY41 4/20 0.63
▸ HDAC6 Q9UBN7 4/20 0.63
▸ HDAC9 Q9UKV0 4/20 0.63
▸ HDAC5 Q9UQL6 4/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ PKM P14618 5/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL1618184 0.88 L3MBTL1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1618182 0.86 SMN1; SMN2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1617674 0.84 PKM (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1662986 0.84 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13389033 0.83 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8222113 0.82 HDAC1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4019521 0.80 HDAC1 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1618490 0.80 MCOLN3 (0.56) SMN1; SMN2PKMMEN1RAB9AKMT2A
SCHEMBL10225534 0.80 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2369526 0.78 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2

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 20 patents. 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-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 — — US disclosed
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 — — 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-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 (5 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 HDAC3 1/4885HDAC4 6/4885HDAC1 2/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC4 6/4885HDAC1 2/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC4 6/4885HDAC1 2/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC4 6/4885HDAC1 2/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC4 11/4885HDAC1 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.