Sugi Predict

Sugi Predict / Compounds / SCHEMBL1662987

SCHEMBL1662987

SCHEMBL1662987

O=C(NO)c1cnc(N2C[C@@H]3C[C@H]2CN3S(=O)(=O)c2ccc3ccccc3c2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 18/20 0.65
▸ HDAC3 O15379 17/20 0.65
▸ HDAC4 P56524 17/20 0.65
▸ HDAC1 Q13547 17/20 0.65
▸ HDAC7 Q8WUI4 17/20 0.65
▸ HDAC2 Q92769 17/20 0.65
▸ HDAC10 Q969S8 17/20 0.65
▸ HDAC11 Q96DB2 17/20 0.65
▸ HDAC8 Q9BY41 17/20 0.65
▸ HDAC9 Q9UKV0 17/20 0.65
▸ HDAC5 Q9UQL6 17/20 0.65
▸ CYP2D6 P10635 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KCNH2 Q12809 1/20 0.47
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10231089 0.89 HDAC3 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1618538 0.89 HDAC3 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1618493 0.83 HDAC3 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL10231085 0.83 HDAC3 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1663345 0.82 HDAC3 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8251579 0.79 HDAC3 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1618839 0.77 HDAC3 (0.69) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1662543 0.77 HDAC3 (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1663577 0.77 HDAC3 (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL14917783 0.77 HDAC6 (0.44) HDAC6HDAC4HDAC1HDAC8HDAC5

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 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-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.