Sugi Predict

Sugi Predict / Compounds / SCHEMBL1618154

SCHEMBL1618154

SCHEMBL1618154

CN(C)CCCOc1ccccc1-c1ccc(S(=O)(=O)N2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.55
▸ HDAC6 Q9UBN7 16/20 0.55
▸ HDAC3 O15379 15/20 0.55
▸ HDAC2 Q92769 15/20 0.55
▸ HDAC4 P56524 12/20 0.55
▸ HDAC7 Q8WUI4 12/20 0.55
▸ HDAC10 Q969S8 12/20 0.55
▸ HDAC11 Q96DB2 12/20 0.55
▸ HDAC8 Q9BY41 12/20 0.55
▸ HDAC9 Q9UKV0 12/20 0.55
▸ HDAC5 Q9UQL6 12/20 0.55
▸ PDE5A O76074 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL1618203 0.87 HDAC3 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1617651 0.86 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1617847 0.86 HDAC3 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1618888 0.85 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1618719 0.84 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1618273 0.84 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1618692 0.81 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1618953 0.81 HDAC1 (0.67) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL8210624 0.79 KDM4E (0.41) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1617493 0.79 HDAC1 (0.73) HDAC1HDAC6HDAC3HDAC2HDAC4

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 24 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-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-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-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 (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 HDAC1 2/4885HDAC6 8/4885HDAC3 1/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC1 2/4885HDAC6 8/4885HDAC3 1/4885
US-20090270419-A1 COMBINATIONS OF CLASS-I SPECIFIC HISTONE DEACETYLASE INHIBITORS WITH PROTEASOME INHIBITORS HDAC1, PSME1, PSMB1 HDAC1 1/4885HDAC6 4/4885HDAC3 33/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC1 2/4885HDAC6 8/4885HDAC3 1/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC6 5/4885HDAC3 3/4885

“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.