SCHEMBL4455356

SCHEMBL4455356

CC(C)Oc1c(-c2ccccc2)cc(-c2ccccc2)c2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 5/20 0.42
SKP2 Q13309 5/20 0.42
GLO1 Q04760 2/20 0.42
TOP1 P11387 4/20 0.40
PIK3CD O00329 1/20 0.39
COMT P21964 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
SYK P43405 2/20 0.36
NPC1 O15118 2/20 0.35
HIF1A Q16665 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPK1 P28482 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
SCHEMBL16407669 0.89 CCR1 (0.41) CKS1BSKP2GLO1TOP1PIK3CD
SCHEMBL13625115 0.88 CKS1B (0.40) CKS1BSKP2GLO1TOP1PIK3CD
SCHEMBL17654956 0.88 TOP1 (0.40) CKS1BSKP2GLO1TOP1PIK3CD
SCHEMBL4457946 0.88 L3MBTL1 (0.47) TOP1MEN1KMT2ACCR1CCR8
SCHEMBL16407671 0.81 CCR1 (0.41) COMTMEN1POLBKMT2ACCR1
SCHEMBL13625122 0.79 SLC40A1 (0.40) MEN1POLBKMT2ASYKNPC1
SCHEMBL16407673 0.78 COMT (0.45) COMTMEN1POLBKMT2ACCR1
SCHEMBL29544161 0.77 KDM4E (0.44) CKS1BSKP2GLO1TOP1PIK3CD
SCHEMBL949616 0.77 KDM4E (0.44) CKS1BSKP2GLO1TOP1PIK3CD
SCHEMBL16407668 0.77 CCR1 (0.40) PIK3CDCOMTMEN1POLBKMT2A

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
US-9302993-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2016-04-05 US disclosed
US-20150335635-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-11-26 US disclosed
US-9169211-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2015-10-27 US disclosed
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-04-02 US disclosed
US-8975278-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2015-03-10 US disclosed
US-20150025108-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-01-22 US disclosed
US-7619091-B2 Treating nervous system disorders such as mild cognitive impairment, Alzheimer's disease or dementia associated with Down syndrome; e.g. use of 5,7-dichloro-8-hydroxy-2-(2-pyridyl)-quinoline (PBT 1052) PRANA BIOTECHNOLOGY LIMITED (AU) 2009-11-17 US disclosed
US-20080161353-A1 8-Hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2008-07-03 US disclosed
EP-1539700-A4 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LTD (AU) 2006-06-28 EP disclosed
US-20060089380-A1 8-Hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LTD. (AU) 2006-04-27 US disclosed
EP-1539700-A1 8-HYDROXY QUINOLINE DERIVATIVES Prana Biotechnology Ltd (AU) 2005-06-15 EP disclosed
WO-2004007461-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2004-01-22 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-20150335635-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN CKS1B 3922/4885SKP2 2754/4885GLO1 2056/4885
US-20080161353-A1 8-Hydroxy quinoline derivatives PARK7, COQ8A, NLN CKS1B 3922/4885SKP2 2754/4885GLO1 2056/4885
US-20150025108-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN CKS1B 3922/4885SKP2 2754/4885GLO1 2056/4885
US-20060089380-A1 8-Hydroxy quinoline derivatives PARK7, HTT, SNCA CKS1B 3051/4885SKP2 586/4885GLO1 2104/4885
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN CKS1B 3922/4885SKP2 2754/4885GLO1 2056/4885

“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.