SCHEMBL12868832

SCHEMBL12868832

Cc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.71
ECE2 P0DPD6 2/20 0.71
ECE1 P42892 2/20 0.71
MUS81 Q96NY9 2/20 0.71
MGAM O43451 1/20 0.67
GAA P10253 1/20 0.67
SI P14410 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
AR P10275 2/20 0.64
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PGR P06401 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL18876545 0.87 L3MBTL1 (0.75) DNM1ECE2ECE1MUS81MGAM
SCHEMBL8925781 0.87 L3MBTL1 (0.82) DNM1ECE2ECE1MUS81MGAM
SCHEMBL6635439 0.87 L3MBTL1 (0.82) DNM1ECE2ECE1MUS81MGAM
SCHEMBL5149469 0.87 L3MBTL1 (0.82) DNM1ECE2ECE1MUS81MGAM
SCHEMBL25474226 0.85 DNM1 (0.79) DNM1ECE2ECE1MUS81GAA
SCHEMBL14983769 0.85 DNM1 (0.71) DNM1ECE2ECE1MUS81MEN1
SCHEMBL13074793 0.85 DNM1 (0.79) DNM1ECE2ECE1MUS81MEN1
SCHEMBL18876543 0.85 DNM1 (0.79) DNM1ECE2ECE1MUS81GAA
SCHEMBL18876549 0.84 DNM1 (0.63) DNM1ECE2ECE1MUS81MGAM
SCHEMBL14983909 0.84 DNM1 (0.82) DNM1ECE2ECE1MUS81MEN1

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 6 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
US-20110046101-A1 BATE-LACTAMASE INHIBITORS DMITRIENKO GARY I 2011-02-24 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 (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-20110046101-A1 BATE-LACTAMASE INHIBITORS OXA1L, MGAM, PREP DNM1 781/4885ECE2 159/4885ECE1 61/4885
US-20140357682-A1 ANDROGEN RECEPTOR LIGANDS AR, NR5A1, SHBG DNM1 4872/4885ECE2 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.