SCHEMBL675993

SCHEMBL675993

O=C(NO)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.79
HDAC6 Q9UBN7 3/20 0.79
HDAC2 Q92769 2/20 0.79
PTPN1 P18031 4/20 0.77
DEGS1 O15121 1/20 0.75
PARP1 P09874 1/20 0.74
TRPV1 Q8NER1 1/20 0.69
POLB P06746 3/20 0.68
STAT3 P40763 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
NR1H4 Q96RI1 1/20 0.67
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
PSMD14 O00487 1/20 0.65
MAPT P10636 1/20 0.65
RECQL P46063 1/20 0.65
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
SAE1 Q9UBE0 1/20 0.65

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
SCHEMBL3033694 0.95 HDAC2 (0.89) HDAC8HDAC6HDAC2PTPN1DEGS1
SCHEMBL673678 0.91 HDAC8 (0.89) HDAC8HDAC6HDAC2PTPN1PARP1
SCHEMBL2026664 0.89 PTPN1 (0.96) HDAC8HDAC6HDAC2PTPN1DEGS1
SCHEMBL14643098 0.89 HDAC8 (1.00) HDAC8HDAC6HDAC2PTPN1PARP1
SCHEMBL10136221 0.89 PTPN1 (0.96) PTPN1DEGS1TRPV1POLBSTAT3
SCHEMBL14160276 0.89 PTPN1 (0.96) PTPN1DEGS1TRPV1POLBSTAT3
SCHEMBL2143958 0.89 HDAC1 (0.74) HDAC8HDAC6HDAC2PTPN1PARP1
SCHEMBL13485792 0.89 HDAC1 (0.74) HDAC8HDAC6HDAC2PTPN1PARP1
SCHEMBL5944034 0.88 PARP1 (0.86) HDAC8HDAC6HDAC2PTPN1DEGS1
SCHEMBL5582853 0.87 PTPN1 (0.79) PTPN1DEGS1TRPV1POLBSTAT3

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
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
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
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 14/4885HDAC6 13/4885HDAC2 5/4885
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors HDAC1, HDAC9, HDAC3 HDAC8 9/4885HDAC6 13/4885HDAC2 4/4885
US-20110281950-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS HDAC1, HDAC4, HDAC2 HDAC8 9/4885HDAC6 10/4885HDAC2 3/4885

“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.