SCHEMBL4021545

SCHEMBL4021545

Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.66
HDAC4 P56524 15/20 0.66
HDAC1 Q13547 15/20 0.66
HDAC7 Q8WUI4 15/20 0.66
HDAC2 Q92769 15/20 0.66
HDAC10 Q969S8 15/20 0.66
HDAC11 Q96DB2 15/20 0.66
HDAC8 Q9BY41 15/20 0.66
HDAC6 Q9UBN7 15/20 0.66
HDAC9 Q9UKV0 15/20 0.66
HDAC5 Q9UQL6 15/20 0.66
DCTPP1 Q9H773 2/20 0.50
HSD11B1 P28845 1/20 0.43
SCD O00767 1/20 0.43

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
SCHEMBL4166775 0.89 HDAC1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4183793 0.86 HDAC1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4184856 0.86 HDAC1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4292077 0.82 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4025219 0.82 HDAC1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6357495 0.81 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4296790 0.81 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4183242 0.80 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4019056 0.80 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4289921 0.80 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP claimed
EP-1664359-B1 METHOD FOR SEPARATING TRIVALENT AMERICIUM FROM TRIVALENT CURIUM FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2007-01-03 EP claimed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US claimed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO claimed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US claimed
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2009-08-13 US disclosed
WO-2009089598-A2 MSMB-GENE METHYLATION BASED DIAGNOSIS, STAGING AND PROGNOSIS OF PROSTATE CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-07-23 WO disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
EP-1664359-B1 METHOD FOR SEPARATING TRIVALENT AMERICIUM FROM TRIVALENT CURIUM FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2007-01-03 EP disclosed
EP-1664359-A1 METHOD FOR SEPARATING TRIVALENT AMERICIUM FROM TRIVALENT CURIUM FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2006-06-07 EP disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US disclosed
WO-2005021810-A1 METHOD FOR SEPARATING TRIVALENT AMERICIUM FROM TRIVALENT CURIUM Forschungszentrum Jülich GmbH (DE) 2005-03-10 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 (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-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC3 6/4885HDAC4 11/4885HDAC1 1/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC3 6/4885HDAC4 11/4885HDAC1 1/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC3 3834/4885HDAC4 2788/4885HDAC1 3460/4885

“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.