SCHEMBL674669

SCHEMBL674669

COc1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.86
RAB9A P51151 9/20 0.86
SMN1; SMN2 Q16637 5/20 0.86
TP53 P04637 3/20 0.86
ALOX15 P16050 1/20 0.86
CA1 P00915 1/20 0.79
CA2 P00918 1/20 0.79
ALDH1A1 P00352 3/20 0.69
CYP1A2 P05177 2/20 0.69
KDM4E B2RXH2 1/20 0.69
HDAC8 Q9BY41 4/20 0.69
KMT2A Q03164 3/20 0.68
GAA P10253 2/20 0.68
MEN1 O00255 2/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HDAC6 Q9UBN7 4/20 0.68
HDAC1 Q13547 3/20 0.68

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
SCHEMBL6799157 0.93 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL28610713 0.92 CA1 (0.77) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL942259 0.89 CA1 (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL2118909 0.88 RAB9A (0.83) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL3036351 0.88 NPC1 (0.79) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.88 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15

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 18 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
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 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
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 US disclosed
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 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 (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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 NPC1 2251/4885RAB9A 3597/4885SMN1; SMN2 2901/4885
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase HDAC1, BAZ2B, HDAC11 NPC1 2066/4885RAB9A 4723/4885SMN1; SMN2 2809/4885
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors HDAC1, HDAC9, HDAC3 NPC1 843/4885RAB9A 4523/4885SMN1; SMN2 3666/4885
US-20110281950-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS HDAC1, HDAC4, HDAC2 NPC1 700/4885RAB9A 4659/4885SMN1; SMN2 640/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 NPC1 2251/4885RAB9A 3597/4885SMN1; SMN2 2901/4885

“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.