SCHEMBL334481

SCHEMBL334481

Nc1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.61
TSHR P16473 2/20 0.61
PKM P14618 7/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TPSAB1 Q15661 3/20 0.59
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PKLR P30613 1/20 0.56
HTT P42858 1/20 0.56
GCK P35557 1/20 0.54

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
SCHEMBL18134604 0.84 MCOLN3 (0.83) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL7071453 0.84 F10 (0.58) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL334128 0.83 MGLL (0.67) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL9565885 0.83 ALDH1A1 (0.72) PKMMEN1KMT2ALMNAGCK
SCHEMBL1618369 0.82 ALDH1A1 (0.67) TSHRPKMMEN1KMT2ALMNA
SCHEMBL1662900 0.80 HDAC1 (0.71) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL1662361 0.79 MAPT (0.74) TSHRPKMMEN1KMT2ALMNA
SCHEMBL334234 0.79 MCOLN3 (0.59) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL1618393 0.79 PKM (0.55) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL10224676 0.79 HDAC1 (0.58) PKMTPSAB1LMNASMN1; SMN2

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 37 patents — showing the first 20. 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-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US disclosed
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-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 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-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 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-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-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 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
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 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
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 US disclosed
EP-1485365-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
WO-2003076422-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO 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 MCOLN3 3686/4885TSHR 773/4885PKM 424/4885
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample HDAC1, HDAC11, HDAC4 MCOLN3 3212/4885TSHR 3074/4885PKM 422/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 MCOLN3 3686/4885TSHR 773/4885PKM 424/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 MCOLN3 3686/4885TSHR 773/4885PKM 424/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 MCOLN3 3975/4885TSHR 1984/4885PKM 1021/4885

“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.