Sugi Predict

Sugi Predict / Compounds / SCHEMBL334042

SCHEMBL334042

SCHEMBL334042

O=C(NOCc1ccccc1)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ TPSAB1 Q15661 3/20 0.51
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL333808 0.96 TPSAB1 (0.48) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL1662900 0.82 HDAC1 (0.71) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL1663315 0.81 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10225767 0.80 HSD17B10 (0.54) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL1618414 0.79 HDAC6 (0.66) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL10224676 0.78 HDAC1 (0.58) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL1618369 0.78 ALDH1A1 (0.67) LMNASMN1; SMN2MAPTPKMRAB9A
SCHEMBL1618393 0.77 PKM (0.55) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL334234 0.77 MCOLN3 (0.59) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL7071453 0.77 F10 (0.58) LMNASMN1; SMN2HDAC3HDAC4HDAC1

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 15 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-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-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-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 — — US disclosed
EP-1485365-B1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-05-14 — — EP 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-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 — — US disclosed
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 — — US disclosed
EP-1485365-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 — — EP disclosed
WO-2003076422-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 — — WO 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 LMNA 946/4885SMN1; SMN2 3960/4885HDAC3 1/4885
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample HDAC1, HDAC11, HDAC4 LMNA 815/4885SMN1; SMN2 4810/4885HDAC3 7/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 LMNA 946/4885SMN1; SMN2 3960/4885HDAC3 1/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 LMNA 1445/4885SMN1; SMN2 3834/4885HDAC3 1/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 LMNA 946/4885SMN1; SMN2 3960/4885HDAC3 1/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 LMNA 1583/4885SMN1; SMN2 4056/4885HDAC3 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.