SCHEMBL1617607

SCHEMBL1617607

O=C(NO)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ GCK P35557 2/20 0.51
▸ DCTPP1 Q9H773 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ GBA1 P04062 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MMP2 P08253 2/20 0.46
▸ MMP13 P45452 2/20 0.46
▸ LMNA P02545 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 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
SCHEMBL15462064 0.90 KMT2A (0.60) KMT2AMEN1GCKDCTPP1ALDH1A1
SCHEMBL1618670 0.82 HDAC6 (0.52) KMT2AMEN1GCKALDH1A1HDAC6
SCHEMBL1619054 0.81 MAPT (0.61) KMT2AMEN1ALDH1A1GBA1HDAC6
SCHEMBL15462015 0.80 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL4019056 0.78 HDAC3 (0.70) KMT2AMEN1DCTPP1HDAC6
SCHEMBL1617608 0.78 HDAC6 (0.56) GCKHDAC6L3MBTL1HTT
SCHEMBL12933015 0.78 HDAC6 (0.59) KMT2AMEN1GCKHDAC6MMP2
SCHEMBL13389214 0.75 HDAC1 (0.61) KMT2AMEN1ALDH1A1HDAC6LMNA
SCHEMBL1618838 0.75 ALDH1A1 (0.70) ALDH1A1L3MBTL1HTTMAPTALOX15
SCHEMBL15462039 0.74 KMT2A (0.51) KMT2AMEN1DCTPP1ALDH1A1GBA1

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 22 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-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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 — — 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-8097611-B2 Sulfonyl-derivatives as novel or histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-01-17 — — US disclosed
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 — — 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-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-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-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

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

For each of this compound's patents that has machine-readable text (4 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 3455/4885GCK 180/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 KMT2A 28/4885MEN1 3455/4885GCK 180/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 KMT2A 28/4885MEN1 3455/4885GCK 180/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 KMT2A 50/4885MEN1 1475/4885GCK 956/4885

“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.

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