SCHEMBL2697239

SCHEMBL2697239

NN=Cc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
MEN1 O00255 12/20 0.56
KMT2A Q03164 12/20 0.56
MAPT P10636 8/20 0.56
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 6/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 3/20 0.49
NPC1 O15118 2/20 0.48
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL6450098 0.82 ERN1 (0.59) ERN1CA12CA1CA2CA9
SCHEMBL6450101 0.82 ERN1 (0.59) ERN1CA12CA1CA2CA9
SCHEMBL14977212 0.81 CA1 (0.58) ERN1CA12CA1CA2CA9
SCHEMBL14976694 0.81 MEN1 (0.62) ERN1CA12CA1CA2CA9
SCHEMBL2222204 0.78 CA12 (0.58) ERN1CA12CA1CA2CA9
SCHEMBL16080725 0.77 MEN1 (0.71) ERN1CA12CA1CA2CA9
SCHEMBL2314960 0.77 GAA (0.63) ERN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13639930 0.76 MEN1 (0.79) ERN1CA12CA1CA2CA9
SCHEMBL29128745 0.74 L3MBTL1 (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14976455 0.74 MAPT (0.68) MEN1KMT2AMAPTALDH1A1KDM4E

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-9296716-B2 Androgen receptor ligands THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIV. TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-03-29 US claimed
US-20140357682-A1 ANDROGEN RECEPTOR LIGANDS The Provost, Fellows, Foundation Scholars, & the Other Members of Board, of The College of the Holy (IE) 2014-12-04 US claimed
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed
US-9296716-B2 Androgen receptor ligands THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIV. TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-03-29 US disclosed
US-20140357682-A1 ANDROGEN RECEPTOR LIGANDS The Provost, Fellows, Foundation Scholars, & the Other Members of Board, of The College of the Holy (IE) 2014-12-04 US disclosed
US-8563472-B2 Synergistic fungicidal and algicidal compositions including 2-hydroxyphenylaldehyde and 2-hydroxyphenylketone heterocycloyhydrazones and copper DOW AGROSCIENCES, LLC. (US) 2013-10-22 US disclosed
EP-2605651-A1 SYNERGISTIC FUNGICIDAL AND ALGICIDAL COMPOSITIONS INCLUDING 2-HYDROXYPHENYLALDEHYDE AND 2-HYDROXYPHENYLKETONE HETEROCYCLOYLHYDRAZONES AND COPPER Dow AgroSciences LLC (US) 2013-06-26 EP disclosed
US-8461078-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2013-06-11 US disclosed
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-05-03 US disclosed
WO-2012024483-A1 SYNERGISTIC FUNGICIDAL AND ALGICIDAL COMPOSITIONS INCLUDING 2-HYDROXYPHENYLALDEHYDE AND 2-HYDROXYPHENYLKETONE HETEROCYCLOYLHYDRAZONES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 WO disclosed
CN-101987835-A Homopiperazine acethydrazide derivatives SHENZHEN INST OF XIANGYA BIOMEDICINE 2011-03-23 CN disclosed
WO-2010083322-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
WO-2010083307-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 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 (2 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-20140357682-A1 ANDROGEN RECEPTOR LIGANDS AR, NR5A1, SHBG ERN1 925/4885CA12 4736/4885CA1 4664/4885
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 ERN1 3190/4885CA12 677/4885CA1 417/4885

“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.