SCHEMBL3265111

SCHEMBL3265111

CCCCCNCc1ncc2cccc(O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TLR8 Q9NR97 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PTPN1 P18031 1/20 0.36
SLC2A1 P11166 1/20 0.36
METAP2 P50579 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAAA Q02083 1/20 0.35

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
SCHEMBL3268407 0.78 KCNH3 (0.43) TLR8
SCHEMBL13313183 0.77 KDM4E (0.46) CYP1A2CYP2C19MEN1KMT2AKDM4E
SCHEMBL13271036 0.70 PLAU (0.46) CYP1A2CYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL19622955 0.70 CA12 (0.46) CA12CA2CA9CYP1A2CYP2C19
SCHEMBL10377418 0.68 HRH4 (0.48) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL11604740 0.67 CA12 (0.82) CA12CA2CA9CYP2D6KDM4E
SCHEMBL11122843 0.66 CA12 (0.83) CA12CA2CA9CYP2D6KDM4E
SCHEMBL11119051 0.66 CA12 (0.83) CA12CA2CA9CYP2D6KDM4E
SCHEMBL11118157 0.66 CA12 (0.83) CA12CA2CA9CYP2D6KDM4E
SCHEMBL5935029 0.66 CA12 (0.83) CA12CA2CA9CYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CA12 1970/4885CA2 1501/4885CA9 1744/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 CA12 2074/4885CA2 1403/4885CA9 1995/4885

“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.