SCHEMBL4411013

SCHEMBL4411013

NCc1ccc(C(=O)NN)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.73
HDAC6 Q9UBN7 1/20 0.73
NCOR2 Q9Y618 1/20 0.73
MPO P05164 2/20 0.61
CYP3A4 P08684 2/20 0.61
KDM5A P29375 1/20 0.61
BLM P54132 1/20 0.61
GFER P55789 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
MAPT P10636 6/20 0.59
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 3/20 0.59
OGG1 O15527 1/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LOXL2 Q9Y4K0 2/20 0.59
CYP1A2 P05177 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL2678949 0.85 MPO (0.80) HDAC3HDAC6NCOR2MPOCYP3A4
SCHEMBL343630 0.85 MPO (0.80) HDAC3HDAC6NCOR2MPOCYP3A4
SCHEMBL22608571 0.84 HDAC6 (1.00) HDAC3HDAC6NCOR2LOXL2
SCHEMBL11139882 0.84 MPO (0.64) HDAC3HDAC6NCOR2MPOCYP3A4
SCHEMBL28188923 0.83 MPO (0.76) HDAC3HDAC6NCOR2MPOCYP3A4
SCHEMBL13009911 0.83 HDAC6 (0.68) HDAC3HDAC6NCOR2BLMPMP22
SCHEMBL7320693 0.83 HDAC6 (0.68) HDAC3HDAC6NCOR2MPOCYP3A4
SCHEMBL2643238 0.83 PLK1 (0.68) HDAC3HDAC6NCOR2LOXL2CA2
SCHEMBL1364607 0.82 MPO (0.61) HDAC3HDAC6NCOR2MPOCYP3A4
SCHEMBL27556167 0.82 MPO (0.61) HDAC3HDAC6NCOR2MPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230304932-A1 COMPOSITIONS, SYSTEMS AND METHODS FOR BIOLOGICAL ANALYSIS INVOLVING ENERGY TRANSFER DYE CONJUGATES AND ANALYTES COMPRISING THE SAME Life Technologies Corporation 2023-09-28 US disclosed
US-11053279-B2 Methods for the site-selective coupling of a first agent to a second agent UNIVERSITEIT GENT (BE) 2021-07-06 US disclosed
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIVERSITEIT GENT (BE) 2019-01-03 US disclosed
CN-108137518-A As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition 株式会社钟根堂 2018-06-08 CN disclosed
CN-102046627-B GABAAReceptor modulators FORSKARPATENT I SYD AB 2013-09-04 CN disclosed
CN-102046627-A GABAAReceptor modulators FORSKARPATENT I SYD AB 2011-05-04 CN disclosed
EP-1691845-A4 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-02-25 EP disclosed
EP-1691845-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE Bristol-Myers Squibb Pharma Company (US) 2006-08-23 EP disclosed
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-05-19 US disclosed
WO-2005023314-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-17 WO disclosed
US-6534041-B1 Having little or no fluorescence emission until dye is cleaved from construct at tumor or inflammation target site INSTITUTE FOR DIAGNOSTIC RESEARCH GMBH OF THE FREE UNIVERSITY OF BERLIN (DE) 2003-03-18 US 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-11053279-B2 Methods for the site-selective coupling of a first agent to a second agent PAICS, HNMT, DPYD HDAC3 2865/4885HDAC6 2515/4885NCOR2 3751/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD HDAC3 2865/4885HDAC6 2515/4885NCOR2 3751/4885
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use MMP1, MMP10, MMP8 HDAC3 900/4885HDAC6 623/4885NCOR2 4431/4885

“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.