SCHEMBL4450080

SCHEMBL4450080

CC(=O)Nc1ccc2cccc(OC(C)=O)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.45
MAPK8 P45983 1/20 0.44
PDE10A Q9Y233 2/20 0.44
GAA P10253 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL8340280 0.78 KDM4E (0.51) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL23714119 0.78 KDM4E (0.50) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL15532332 0.78 KMT2A (0.51) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL28555834 0.78 CYP1A2 (0.60) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL19603065 0.77 KMT2A (0.50) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5210685 0.77 MCHR1 (0.63) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL27877393 0.77 XPO1 (0.54) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL28662218 0.77 KMT2A (0.50) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL4453463 0.77 KMT2A (0.50) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL4453824 0.77 KMT2A (0.50) LMNAKMT2AMEN1NPC1RAB9A

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 LMNA 1440/4885KMT2A 1762/4885MEN1 1871/4885
US-20080161353-A1 8-Hydroxy quinoline derivatives PARK7, COQ8A, NLN LMNA 1440/4885KMT2A 1762/4885MEN1 1871/4885
US-20150025108-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN LMNA 1440/4885KMT2A 1762/4885MEN1 1871/4885
US-20060089380-A1 8-Hydroxy quinoline derivatives PARK7, HTT, SNCA LMNA 1019/4885KMT2A 746/4885MEN1 3123/4885
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN LMNA 1440/4885KMT2A 1762/4885MEN1 1871/4885

“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.