SCHEMBL1619005

SCHEMBL1619005

O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 4/20 0.58
MGLL Q99685 1/20 0.57
HDAC3 O15379 5/20 0.56
HDAC4 P56524 5/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC6 Q9UBN7 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.51

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
SCHEMBL15462040 0.92 HDAC3 (0.56) SMN1; SMN2MAPTLMNAMGLLHDAC3
SCHEMBL15462020 0.89 LMNA (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL1618986 0.86 ALDH1A1 (0.70) SMN1; SMN2MAPTLMNAHDAC3HDAC4
SCHEMBL1618669 0.85 ALDH1A1 (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL1617589 0.85 L3MBTL1 (0.60) SMN1; SMN2MAPTLMNAHDAC3HDAC4
SCHEMBL1618834 0.85 GPR183 (0.55) SMN1; SMN2MAPTLMNAHDAC3HDAC4
SCHEMBL1617566 0.85 HDAC3 (0.53) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL1619009 0.85 WDR5 (0.52) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL1618906 0.84 ALDH1A1 (0.62) SMN1; SMN2MAPTLMNAHDAC3HDAC4
SCHEMBL1618665 0.83 ALDH1A1 (0.52) SMN1; SMN2MAPTLMNAKMT2AMEN1

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 11 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
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

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 SMN1; SMN2 3960/4885MAPT 4071/4885LMNA 946/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 SMN1; SMN2 3960/4885MAPT 4071/4885LMNA 946/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 SMN1; SMN2 3834/4885MAPT 4026/4885LMNA 1445/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 SMN1; SMN2 3960/4885MAPT 4071/4885LMNA 946/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 SMN1; SMN2 4056/4885MAPT 3759/4885LMNA 1583/4885

“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.