SCHEMBL4448401

SCHEMBL4448401

COc1c(Cl)cc(Cl)c2cc(C(=O)NN)cnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGDS O60760 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4449703 0.81 CYP2C9 (0.43) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL3235193 0.75 ALDH1A1 (1.00) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL4451241 0.74 PDE5A (0.41) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL13977996 0.69 ALDH1A1 (0.54) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL10920276 0.68 KDM4E (0.44) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL218035 0.67 KDM4E (0.49) KDM4EALDH1A1GAAKMT2AHTT
SCHEMBL22394861 0.67 CA1 (0.52) KDM4EALDH1A1GAARAB9ACA1
Hydrochloric Acid SCHEMBL4426348 0.66 CA1 (0.50) KDM4EALDH1A1GAARAB9ACA1
SCHEMBL2833396 0.65 JAK2 (0.46) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL19021344 0.65 PSMD14 (0.54) KDM4EALDH1A1KMT2AMEN1RAB9A

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 24 patents — showing the first 20. 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-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-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-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-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-8975278-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2015-03-10 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-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
US-20080161353-A1 8-Hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2008-07-03 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
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 (4 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 KDM4E 3604/4885ALDH1A1 725/4885GAA 117/4885
US-20080161353-A1 8-Hydroxy quinoline derivatives PARK7, COQ8A, NLN KDM4E 3604/4885ALDH1A1 725/4885GAA 117/4885
US-20060089380-A1 8-Hydroxy quinoline derivatives PARK7, HTT, SNCA KDM4E 2123/4885ALDH1A1 513/4885GAA 125/4885
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN KDM4E 3604/4885ALDH1A1 725/4885GAA 117/4885

“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.