SCHEMBL1619009

SCHEMBL1619009

O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 11/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
RORC P51449 1/20 0.45

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
SCHEMBL15462046 0.91 MAPT (0.48) WDR5SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL1618665 0.87 ALDH1A1 (0.52) WDR5SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL1617564 0.87 KMT2A (0.55) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL1618982 0.87 KMT2A (0.49) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL1619027 0.85 ALDH1A1 (0.52) SMN1; SMN2KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL15462020 0.85 LMNA (0.57) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL1619005 0.85 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL1617562 0.84 SLC6A9 (0.52) WDR5SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL15462018 0.83 MAPT (0.57) SMN1; SMN2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15462038 0.82 KMT2A (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1POLB

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 WDR5 2773/4885SMN1; SMN2 3960/4885KMT2A 28/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 WDR5 2773/4885SMN1; SMN2 3960/4885KMT2A 28/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 WDR5 3108/4885SMN1; SMN2 3834/4885KMT2A 36/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 WDR5 2773/4885SMN1; SMN2 3960/4885KMT2A 28/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 WDR5 1724/4885SMN1; SMN2 4056/4885KMT2A 50/4885

“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.