SCHEMBL3239485

SCHEMBL3239485

COc1nc(=O)[nH]c2c(OC)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.53
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
MCL1 Q07820 2/20 0.51
LMNA P02545 1/20 0.51
BLM P54132 1/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GLA P06280 1/20 0.47
CDK9 P50750 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL14843172 0.84 NQO2 (0.56) NQO2KDM4EMEN1POLBMAPT
SCHEMBL1622539 0.83 KDM4E (0.57) NQO2KDM4EMEN1POLBMAPT
SCHEMBL13313243 0.81 NQO2 (0.45) NQO2KDM4EMEN1POLBMAPT
SCHEMBL4735638 0.75 ALDH1A1 (0.53) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL28325027 0.74 KDM4E (0.62) NQO2KDM4EMEN1POLBMAPT
SCHEMBL4737616 0.74 ABCG2 (0.53) KDM4EMEN1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL28023272 0.73 ALDH1A1 (0.51) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL3423322 0.71 NQO2 (0.57) NQO2KDM4EMEN1POLBMAPT
Edulitine SCHEMBL30631639 0.71 NQO2 (0.76) NQO2KDM4EMEN1POLBMAPT
Edulitine SCHEMBL3188973 0.71 NQO2 (0.76) NQO2KDM4EMEN1POLBMAPT

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 12 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-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
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 NQO2 739/4885KDM4E 3333/4885MEN1 1487/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 NQO2 1121/4885KDM4E 3329/4885MEN1 1991/4885

“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.