SCHEMBL2433158

SCHEMBL2433158

CCCOc1ccc(OC)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DYRK1A Q13627 1/20 0.39
MGAM O43451 5/20 0.38
GAA P10253 5/20 0.38
SI P14410 5/20 0.38
MGAM2 Q2M2H8 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 2/20 0.38
KIT P10721 1/20 0.37

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
SCHEMBL2432114 0.91 NPC1 (0.37) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2432159 0.91 NPC1 (0.37) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2430280 0.90 ADORA3 (0.42) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL1136382 0.90 MAOB (0.40) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL1136119 0.90 MAOB (0.40) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2429424 0.89 DYRK1A (0.39) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2432282 0.88 NPC1 (0.37) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2434674 0.88 HDAC4 (0.40) KDM4EHSD17B10MAPTLMNASMN1; SMN2
SCHEMBL2429944 0.88 MGAM (0.35) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2428164 0.87 MAOB (0.40) ALDH1A1CYP3A4NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064701-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND 大塚製薬株式会社 (JP) 2010-06-10 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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 ALDH1A1 568/4885CYP3A4 2014/4885NPC1 1727/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 ALDH1A1 568/4885CYP3A4 2014/4885NPC1 1727/4885

“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.