SCHEMBL1617564

SCHEMBL1617564

O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 11/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.50
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 1/20 0.48
CYP2C9 P11712 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 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
SCHEMBL15462038 0.94 KMT2A (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL1618665 0.90 ALDH1A1 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL1619009 0.87 WDR5 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL1617562 0.87 SLC6A9 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL15462020 0.84 LMNA (0.57) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL15462012 0.84 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL1618965 0.83 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL1619005 0.83 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL1619027 0.82 ALDH1A1 (0.52) KMT2ASMN1; SMN2ALDH1A1POLBPKM
SCHEMBL1618982 0.82 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1POLBMAPT

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 KMT2A 28/4885MEN1 3455/4885SMN1; SMN2 3960/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 KMT2A 28/4885MEN1 3455/4885SMN1; SMN2 3960/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 KMT2A 36/4885MEN1 3328/4885SMN1; SMN2 3834/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 KMT2A 28/4885MEN1 3455/4885SMN1; SMN2 3960/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 KMT2A 50/4885MEN1 1475/4885SMN1; SMN2 4056/4885

“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.