SCHEMBL3242174

SCHEMBL3242174

Cc1nc(Cl)c2cccc(O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
CYP1A2 P05177 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
METAP2 P50579 1/20 0.43
KMT2A Q03164 4/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TNKS O95271 3/20 0.41
TNKS2 Q9H2K2 3/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL7011032 0.81 PARP1 (0.50) PARP1CYP1A2KDM4ECYP2D6CYP2C9
SCHEMBL31685067 0.81 CYP1A2 (0.44) PARP1CYP1A2KDM4ECYP2D6CYP2C9
SCHEMBL12134841 0.81 CYP1A2 (0.44) PARP1CYP1A2KDM4ECYP2D6CYP2C9
SCHEMBL27298683 0.78 CYP1A2 (0.50) PARP1CYP1A2KDM4ECYP2D6CYP2C9
SCHEMBL14842961 0.78 SSTR4 (0.39) PARP1CYP1A2KDM4ECYP2C19KMT2A
SCHEMBL6026073 0.78 ALDH1A1 (0.49) CYP1A2CYP2C19KMT2AALDH1A1GAA
SCHEMBL3243131 0.77 PARP1 (0.48) PARP1CYP1A2KDM4ECYP2D6CYP2C9
SCHEMBL13313195 0.76 PARP1 (0.43) PARP1CYP1A2KDM4ECYP2D6CYP2C9
SCHEMBL23497072 0.75 ALDH1A1 (0.44) PARP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29829159 0.75 ALDH1A1 (0.44) PARP1CYP1A2CYP2D6CYP2C9CYP2C19

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
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO 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 PARP1 2866/4885CYP1A2 1669/4885KDM4E 3333/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 PARP1 3308/4885CYP1A2 1906/4885KDM4E 3329/4885

“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.