SCHEMBL14983767

SCHEMBL14983767

O=C(N/N=C/c1cc2ccccc2cc1O)c1cc2ccccc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 1.00
▸ ECE2 P0DPD6 2/20 0.89
▸ ECE1 P42892 2/20 0.89
▸ MUS81 Q96NY9 2/20 0.89
▸ PGR P06401 1/20 0.76
▸ SIRT1 Q96EB6 1/20 0.70
▸ FTO Q9C0B1 1/20 0.70
▸ DNM1 Q05193 2/20 0.69
▸ MEN1 O00255 6/20 0.66
▸ KMT2A Q03164 6/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ GAA P10253 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ SYK P43405 1/20 0.62
▸ POLB P06746 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58

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
SCHEMBL29370806 0.94 ECE2 (1.00) ARECE2ECE1MUS81PGR
SCHEMBL16653952 0.94 ECE2 (1.00) ARECE2ECE1MUS81PGR
SCHEMBL29695489 0.94 ECE2 (1.00) ARECE2ECE1MUS81PGR
SCHEMBL16653949 0.94 ECE2 (1.00) ARECE2ECE1MUS81PGR
SCHEMBL4570235 0.94 ECE2 (1.00) ARECE2ECE1MUS81PGR
SCHEMBL30077227 0.94 ECE2 (1.00) ARECE2ECE1MUS81PGR
SCHEMBL29695645 0.94 ECE2 (1.00) ARECE2ECE1MUS81PGR
SCHEMBL18963284 0.90 AR (0.82) ARECE2ECE1MUS81PGR
SCHEMBL1175103 0.90 AR (0.82) ARECE2ECE1MUS81PGR
SCHEMBL1175104 0.90 AR (0.82) ARECE2ECE1MUS81PGR

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 5 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 disclosed
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-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
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 AR 1/4885ECE2 3648/4885ECE1 3442/4885

“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.

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