SCHEMBL4754656

SCHEMBL4754656

O=c1cc(O)c2ncccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 1/20 0.53
DAO P14920 3/20 0.51
PARP1 P09874 3/20 0.49
KDM5A P29375 1/20 0.47
KCNMA1 Q12791 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
CASP6 P55212 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4757121 0.79 PARP1 (0.49) KDM4EALDH1A1DAOPARP1KCNMA1
SCHEMBL17781102 0.78 PDE2A (0.46) KDM4EALDH1A1DAOPARP1MAPT
SCHEMBL31298171 0.77 PARP1 (0.49) KDM4EPARP1
SCHEMBL18238034 0.75 PARP1 (0.45) KDM4EALDH1A1DAOPARP1KCNMA1
SCHEMBL15572559 0.74 KDM4E (0.43) KDM4EALDH1A1DAOKDM5AADORA2A
SCHEMBL13348756 0.74 KDM4E (0.43) KDM4EALDH1A1DAOKDM5ARAB9A
SCHEMBL1041260 0.73 KDM4E (0.42) KDM4EALDH1A1DAOPARP1KDM5A
SCHEMBL260956 0.72 KDM5A (0.43) KDM4EALDH1A1DAOKDM5AMAPT
SCHEMBL2303102 0.71 PARP1 (0.49) KDM4EALDH1A1DAOPARP1KCNMA1
SCHEMBL30575356 0.71 ALDH1A1 (0.53) KDM4EALDH1A1DAOPARP1KDM5A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163018-B2 Method of treatment of age-related macular degeneration (AMD) PRANA BIOTECHNOLOGY INC. (AU) 2015-10-20 US disclosed
US-20140088122-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) PRANA BIOTECHNOLOGY LIMITED (AU) 2014-03-27 US disclosed
US-20110071167-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) PRANA BIOTECHNOLOGY LIMITED (AU) 2011-03-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100144693-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-10 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 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 (5 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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 KDM4E 4691/4885ALDH1A1 2365/4885DAO 2289/4885
US-20140088122-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) ALDH1A2, AGER, PDE6C KDM4E 4624/4885ALDH1A1 238/4885DAO 1648/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 KDM4E 3329/4885ALDH1A1 703/4885DAO 1175/4885
US-20100144693-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) ALDH1A2, AGER, PDE6C KDM4E 4624/4885ALDH1A1 238/4885DAO 1648/4885
US-20110071167-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) ALDH1A2, AGER, PDE6C KDM4E 4624/4885ALDH1A1 238/4885DAO 1648/4885

“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.