SCHEMBL3246366

SCHEMBL3246366

O=C(O)c1nc(O)c2cccc(O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4A O75164 2/20 0.47
EGLN1 Q9GZT9 2/20 0.47
RAB9A P51151 2/20 0.47
HIF1AN Q9NWT6 1/20 0.47
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.45
PARP1 P09874 7/20 0.43
TNKS O95271 6/20 0.43
TNKS2 Q9H2K2 6/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL3260917 0.84 KDM4E (0.49) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL3236883 0.84 PARP1 (0.45) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL13313210 0.77 PARP1 (0.41) KDM4ERAB9AKMT2ACYP1A2PARP1
SCHEMBL20352579 0.76 SMN1; SMN2 (0.47) KDM4EALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL17867403 0.75 CYP1A2 (0.47) KDM4ERAB9AKMT2ACYP1A2PARP1
SCHEMBL25067600 0.72 CYP1A2 (0.53) KDM4EL3MBTL1RAB9AKMT2ACYP1A2
SCHEMBL3243139 0.71 KDM4E (0.54) KDM4EL3MBTL1KDM4AEGLN1RAB9A
Xanthurenate SCHEMBL29394132 0.71 KDM4E (0.59) KDM4EL3MBTL1KDM4AEGLN1RAB9A
Xanthurenate SCHEMBL29911018 0.71 KDM4E (0.59) KDM4EL3MBTL1KDM4AEGLN1RAB9A
Xanthurenate SCHEMBL379760 0.71 KDM4E (0.59) KDM4EL3MBTL1KDM4AEGLN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558585-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2013-09-25 EP disclosed
EP-1558585-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2013-09-25 EP disclosed
CN-1720238-B Neurologically-active compounds PRANA BIOTECHNOLOGY LTD 2011-08-03 CN disclosed
EP-2210892-A2 Neurologically-active compounds Prana Biotechnology Limited (AU) 2010-07-28 EP 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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 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
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
EP-1558585-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2008-07-02 EP disclosed
US-20060167000-A1 Neurologically-active compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2006-07-27 US disclosed
CN-1720238-A Neurologically-active compounds PRANA BIOTECHNOLOGY LTD (AU) 2006-01-11 CN disclosed
EP-1558585-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Ltd (AU) 2005-08-03 EP disclosed
WO-2004031161-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2004-04-15 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 (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-20060167000-A1 Neurologically-active compounds ACHE, PSEN1, PSEN2 KDM4E 3333/4885L3MBTL1 2099/4885KDM4A 3484/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 KDM4E 3329/4885L3MBTL1 2272/4885KDM4A 3548/4885

“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.