SCHEMBL14976455

SCHEMBL14976455

NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.68
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
LMNA P02545 7/20 0.68
TDP1 Q9NUW8 6/20 0.68
HTT P42858 5/20 0.68
POLB P06746 6/20 0.61
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
NPSR1 Q6W5P4 3/20 0.50
MAPK1 P28482 2/20 0.50
BLM P54132 2/20 0.50
APAF1 O14727 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.46
MCL1 Q07820 2/20 0.46
PSMD14 O00487 1/20 0.46
GPR35 Q9HC97 1/20 0.45

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
SCHEMBL14976959 0.83 GPR35 (0.56) MAPTMEN1KMT2ALMNATDP1
SCHEMBL31730320 0.80 ERN1 (0.65) MAPTMEN1KMT2ALMNATDP1
SCHEMBL11851949 0.80 MAPT (0.61) MAPTMEN1KMT2ALMNATDP1
SCHEMBL11210616 0.80 ERN1 (0.65) MAPTMEN1KMT2ALMNATDP1
SCHEMBL6010796 0.77 GPR35 (0.63) MAPTMEN1KMT2ALMNATDP1
SCHEMBL11856607 0.76 MAPT (0.61) MAPTMEN1KMT2ALMNATDP1
SCHEMBL11856597 0.76 MAPT (0.61) MAPTMEN1KMT2ALMNATDP1
SCHEMBL2555199 0.75 MAPT (0.59) MAPTMEN1KMT2ALMNATDP1
SCHEMBL2555198 0.75 MAPT (0.59) MAPTMEN1KMT2ALMNATDP1
SCHEMBL2697239 0.74 ERN1 (0.57) MAPTMEN1KMT2ATDP1HTT

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 8 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
EP-2782643-A1 ANDROGEN RECEPTOR LIGANDS The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2014-10-01 EP claimed
WO-2013076275-A1 ANDROGEN RECEPTOR LIGANDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIV.TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2013-05-30 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
EP-2782643-A1 ANDROGEN RECEPTOR LIGANDS The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2014-10-01 EP disclosed
WO-2013076275-A1 ANDROGEN RECEPTOR LIGANDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIV.TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2013-05-30 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 (1 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 MAPT 2766/4885MEN1 4657/4885KMT2A 3958/4885

“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.