SCHEMBL1618665

SCHEMBL1618665

O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
SLC6A9 P48067 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
MAPT P10636 2/20 0.52
WDR5 P61964 2/20 0.51
CYP2D6 P10635 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 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
SCHEMBL15462044 0.91 CHRM4 (0.45) ALDH1A1KMT2APOLBSLC6A9SLC6A5
SCHEMBL1617564 0.90 KMT2A (0.55) ALDH1A1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL1618965 0.89 ALDH1A1 (0.51) ALDH1A1KMT2APOLBSLC6A9SLC6A5
SCHEMBL1619009 0.87 WDR5 (0.52) ALDH1A1KMT2APOLBMAPTWDR5
SCHEMBL12341327 0.87 SLC6A9 (0.65) ALDH1A1KMT2APOLBSLC6A9SLC6A5
SCHEMBL1617562 0.87 SLC6A9 (0.52) ALDH1A1KMT2APOLBSLC6A9MAPT
SCHEMBL1618984 0.85 ALDH1A1 (0.49) ALDH1A1KMT2APOLBMAPTWDR5
SCHEMBL1618986 0.85 ALDH1A1 (0.70) ALDH1A1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL15462038 0.84 KMT2A (0.53) ALDH1A1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL1618669 0.84 ALDH1A1 (0.57) ALDH1A1KMT2APOLBSLC6A9SLC6A5

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 ALDH1A1 1215/4885KMT2A 28/4885POLB 3582/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1215/4885KMT2A 28/4885POLB 3582/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 ALDH1A1 1084/4885KMT2A 36/4885POLB 3703/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1215/4885KMT2A 28/4885POLB 3582/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 ALDH1A1 1356/4885KMT2A 50/4885POLB 480/4885

“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.