SCHEMBL2430302

SCHEMBL2430302

COc1ccc(-c2c[nH]c3c(OC)ccc(OC)c3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
IDO1 P14902 4/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
DYRK1A Q13627 1/20 0.42
MAPK1 P28482 1/20 0.41
BACE1 P56817 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL2428433 0.90 IDO1 (0.41) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2430280 0.90 ADORA3 (0.42) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL1136187 0.89 ALDH1A1 (0.42) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL7261266 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2433158 0.87 ALDH1A1 (0.39) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL7257608 0.87 RET (0.44) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2433750 0.86 XDH (0.41) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2430197 0.85 PDE4A (0.40) IDO1CNR1CNR2
SCHEMBL2432859 0.85 ADORA3 (0.43) ALDH1A1CYP3A4NPC1RAB9AKDM4E
SCHEMBL2523334 0.84 PDE4A (0.41) 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 15 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
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
US-6645983-B1 Heterocyclic imines such as 3-(4-methoxyphenyl)-1,4-dihydro-4 -quinolinone, used as anticarcinogenic agents having cytolysis efficiency; side effect reduction LABORATOIRE L. LAFON (FR) 2003-11-11 US disclosed
EP-1202971-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING 4-QUINOLONES LABORATOIRE L. LAFON (FR) 2002-05-08 EP disclosed
WO-2002022074-A2 USE OF 2- AND 4- QUINOLONES FOR INHIBITING INTIMAL NEO-PROLIFERATION LABORATOIRE L. LAFON (FR) 2002-03-21 WO disclosed
WO-2001012607-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING 4-QUINOLONES FOR TREATING CANCERS LABORATOIRE L. LAFON (FR) 2001-02-22 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 (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.