SCHEMBL14977336

SCHEMBL14977336

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HTT P42858 4/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 3/20 0.53
RECQL P46063 2/20 0.53
GAA P10253 2/20 0.53
ALPL P05186 1/20 0.53
MCL1 Q07820 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LCK P06239 1/20 0.45
CYP3A4 P08684 1/20 0.44

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) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL30329716 0.80 ERN1 (0.59) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL1300350 0.80 ERN1 (0.59) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL13196182 0.79 MAPT (0.53) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL994720 0.77 MEN1 (0.56) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL14198033 0.76 MAPT (0.54) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL2553752 0.75 LCK (0.51) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL2553753 0.75 LCK (0.51) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL3838338 0.74 CA12 (0.58) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL2317398 0.74 MAPT (0.68) MAPTALDH1A1HTTLMNAMEN1

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 2766/4885ALDH1A1 3184/4885HTT 3693/4885

“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.