SCHEMBL675580

SCHEMBL675580

O=C(CCCc1ccccc1)NCc1ccc(C(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 1.00
HDAC6 Q9UBN7 10/20 1.00
HDAC8 Q9BY41 8/20 1.00
HDAC2 Q92769 6/20 1.00
HDAC3 O15379 5/20 1.00
HDAC4 P56524 5/20 1.00
HDAC7 Q8WUI4 5/20 1.00
HDAC10 Q969S8 5/20 1.00
HDAC11 Q96DB2 5/20 1.00
HDAC9 Q9UKV0 5/20 1.00
HDAC5 Q9UQL6 5/20 1.00
TRPV1 Q8NER1 1/20 0.70
LMNA P02545 1/20 0.68
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL4925022 0.88 HDAC6 (0.78) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL9787349 0.87 HDAC1 (0.77) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL3435489 0.87 TRPV1 (0.84) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1986357 0.83 HDAC1 (0.96) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1981700 0.83 HDAC8 (1.00) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL673760 0.82 HDAC6 (1.00) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL8699067 0.82 TRPV1 (0.78) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL26393850 0.82 TRPV1 (1.00) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL4580313 0.82 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL9080237 0.82 MEN1 (0.83) HDAC1HDAC6HDAC8HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 US claimed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 US claimed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP claimed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 WO claimed
EP-1696898-B1 ZN 2+ -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2015-11-18 EP disclosed
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 US disclosed
EP-1727516-B1 COMPOSITION COMPRISING AN HDAC INHIBITOR IN COMBINATION WITH A RETINOID DSM IP ASSETS BV (NL) 2014-05-14 EP disclosed
US-8318808-B2 Zn2+chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-20110281950-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS BAIOCCHI ROBERT A (US) 2011-11-17 US disclosed
WO-2011143314-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS ARNO THERAPEUTICS, INC (US) 2011-11-17 WO disclosed
WO-2011103563-A1 METHODS AND COMPOSITIONS FOR INHIBITING AND PREVENTING THE GROWTH OF MALIGNANT MAST CELLS ARNO THERAPEUTICS, INC (US) 2011-08-25 WO disclosed
CN-1933802-B Composition comprising an hdac inhibitor in combination with a retinoid DSM IP ASSETS BV 2011-07-06 CN disclosed
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-28 US disclosed
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
CN-1933802-A Composition comprising an hdac inhibitor in combination with a retinoid DSM IP ASSETS BV (NL) 2007-03-21 CN disclosed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP disclosed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 HDAC1 563/4885HDAC6 2092/4885HDAC8 3399/4885
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase HDAC1, BAZ2B, HDAC11 HDAC1 1/4885HDAC6 13/4885HDAC8 14/4885
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors HDAC1, HDAC9, HDAC3 HDAC1 1/4885HDAC6 13/4885HDAC8 9/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 HDAC1 622/4885HDAC6 2060/4885HDAC8 3570/4885
US-20110281950-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS HDAC1, HDAC4, HDAC2 HDAC1 1/4885HDAC6 10/4885HDAC8 9/4885

“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.