SCHEMBL1618965

SCHEMBL1618965

O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
WDR5 P61964 1/20 0.47
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 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
SCHEMBL15462035 0.91 ALDH1A1 (0.41) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL1618665 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL1618669 0.85 ALDH1A1 (0.57) ALDH1A1MAPTLMNANPSR1WDR5
SCHEMBL1618984 0.85 ALDH1A1 (0.49) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL1618986 0.84 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1617564 0.83 KMT2A (0.55) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL15462025 0.82 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL1618981 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL1618996 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL1618834 0.81 GPR183 (0.55) ALDH1A1MAPTLMNASMN1; SMN2HTT

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 1215/4885MAPT 4071/4885LMNA 946/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1215/4885MAPT 4071/4885LMNA 946/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 ALDH1A1 1084/4885MAPT 4026/4885LMNA 1445/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ALDH1A1 1215/4885MAPT 4071/4885LMNA 946/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 ALDH1A1 1356/4885MAPT 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.