Sugi Predict

Sugi Predict / Compounds / SCHEMBL4451241

SCHEMBL4451241

SCHEMBL4451241

COc1c(Cl)cc(Cl)c2cc(N)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.41
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CHUK O15111 1/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ HSP90AB1 P08238 2/20 0.32
▸ G6PD P11413 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ DHFR P00374 2/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL4448401 0.74 KDM4E (0.58) KDM4EKMT2AHIF1AGAAALDH1A1
SCHEMBL4448881 0.74 MAPT (0.51) NPC1KDM4EKMT2AHIF1AALDH1A1
Bromide SCHEMBL4451997 0.72 MAPT (0.50) NPC1KDM4EKMT2AHIF1AALDH1A1
SCHEMBL10086618 0.71 HIF1A (0.60) KDM4EKMT2AHIF1AALDH1A1HSP90AA1
SCHEMBL4449703 0.70 CYP2C9 (0.43) KDM4EKMT2AALDH1A1MEN1CYP2C19
SCHEMBL12020196 0.69 NQO2 (0.37) PDE5AKMT2AMEN1HTTPOLB
SCHEMBL3232210 0.68 KDM4E (0.39) KDM4EKMT2AGAAALDH1A1HSP90AA1
SCHEMBL3238740 0.68 KDM4E (0.39) KDM4EKMT2AGAAALDH1A1HSP90AA1
SCHEMBL115753 0.67 TSHR (0.41) NPC1KDM4EKMT2AGAAALDH1A1
SCHEMBL2101809 0.67 CYP3A4 (0.50) NPC1KDM4EGAAALDH1A1PKM

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 29 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-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-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-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-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 PDE5A 756/4885NPC1 231/4885KDM4E 3604/4885
US-20080161353-A1 8-Hydroxy quinoline derivatives PARK7, COQ8A, NLN PDE5A 756/4885NPC1 231/4885KDM4E 3604/4885
US-20060089380-A1 8-Hydroxy quinoline derivatives PARK7, HTT, SNCA PDE5A 888/4885NPC1 457/4885KDM4E 2123/4885
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN PDE5A 756/4885NPC1 231/4885KDM4E 3604/4885

“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.