SCHEMBL674149

SCHEMBL674149

CN(C(=O)CCCc1ccccc1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.62
HDAC1 Q13547 14/20 0.61
HDAC6 Q9UBN7 10/20 0.61
HDAC2 Q92769 7/20 0.61
HDAC3 O15379 7/20 0.61
HDAC7 Q8WUI4 5/20 0.61
HDAC10 Q969S8 5/20 0.61
HDAC5 Q9UQL6 5/20 0.61
HDAC4 P56524 4/20 0.61
HDAC11 Q96DB2 4/20 0.61
HDAC9 Q9UKV0 4/20 0.61
MLYCD O95822 1/20 0.52
NCOR2 Q9Y618 1/20 0.51
ALOX5 P09917 1/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL8696461 0.82 ALOX5 (0.56) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL2833357 0.81 MLYCD (0.61) HDAC8HDAC1MLYCDALOX5NPC1
SCHEMBL17064249 0.81 ALOX5 (0.55) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL1981700 0.78 HDAC8 (1.00) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL1986357 0.78 HDAC1 (0.96) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL2201636 0.78 ALOX5 (0.55) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL8695755 0.78 ALOX5 (0.63) HDAC1HDAC2MLYCDALOX5NPC1
Oxalic Acid SCHEMBL18421966 0.77 KDM1A (0.56) MLYCDALOX5NPC1ALDH1A1MAPT
SCHEMBL4580313 0.77 HDAC1 (1.00) HDAC8HDAC1HDAC6HDAC2HDAC3
SCHEMBL8010609 0.76 ALOX5 (0.60) HDAC1HDAC2MLYCDALOX5NPC1

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 15 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-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 claimed
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 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
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
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-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
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 (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-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase HDAC1, BAZ2B, HDAC11 HDAC8 14/4885HDAC1 1/4885HDAC6 13/4885
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors HDAC1, HDAC9, HDAC3 HDAC8 9/4885HDAC1 1/4885HDAC6 13/4885
US-20110281950-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS HDAC1, HDAC4, HDAC2 HDAC8 9/4885HDAC1 1/4885HDAC6 10/4885

“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.