SCHEMBL334411

SCHEMBL334411

O=S(=O)(c1cccc2ccccc12)C1CNCC[N]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL9131888 0.80 HTR6 (0.40) HTR6AKR1B1
SCHEMBL335090 0.77 CA1 (0.44) HTR6CA1CA2CA9MEN1
SCHEMBL5360280 0.76 ALDH1A1 (0.35) HTR6
SCHEMBL10794598 0.76 HTR6 (0.54) HTR6CA1CA2CA9
Hydrochloric Acid SCHEMBL10795401 0.75 HTR6 (0.53) HTR6CA1CA2CA9
SCHEMBL8484443 0.72 HTR6 (0.50) HTR6CA1CA2CA9
SCHEMBL1254418 0.72 KDM1A (0.45) HTR6TSHR
SCHEMBL20789878 0.69 CA1 (0.55) HTR6CA1CA2CA9MEN1
SCHEMBL2202390 0.69 MAPT (0.44)
SCHEMBL6789087 0.69 CA1 (0.44) HTR6CA1CA2CA9MEN1

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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533979-B2 Amino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2017-01-03 US claimed
US-20150065478-A1 Amino-Derivatives As Novel Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA NV (BE) 2015-03-05 US claimed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US claimed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 US claimed
US-20130303506-A1 AMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICAL N.V. (BE) 2013-11-14 US claimed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 US claimed
US-8524711-B2 Amino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-03 US claimed
US-8513237-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-20 US claimed
US-8501737-B2 Piperazinyl-, piperidinyl- and morpholinyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-06 US claimed
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 US claimed
EP-1485365-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP claimed
EP-1485364-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP claimed
EP-1485348-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP claimed
EP-1485353-A1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP claimed
WO-2003076430-A1 AMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO claimed
WO-2003076421-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO claimed
WO-2003076395-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO claimed
WO-2003076401-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO claimed
WO-2003076400-A1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO claimed
WO-2003076422-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130303506-A1 AMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, DOT1L HTR6 2108/4885CA1 2154/4885CA2 2652/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HTR6 2144/4885CA1 2006/4885CA2 1233/4885
US-20150065478-A1 Amino-Derivatives As Novel Inhibitors Of Histone Deacetylase HDAC1, HDAC11, DOT1L HTR6 2108/4885CA1 2154/4885CA2 2652/4885

“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.