SCHEMBL2429944

SCHEMBL2429944

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.35
GAA P10253 5/20 0.35
SI P14410 5/20 0.35
MGAM2 Q2M2H8 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
IDO1 P14902 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
DYRK1A Q13627 1/20 0.34
MET P08581 2/20 0.33
KDR P35968 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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 0.92 NPC1 (0.37) MGAMGAASIMGAM2NPC1
SCHEMBL2433158 0.88 ALDH1A1 (0.39) MGAMGAASIMGAM2NPC1
SCHEMBL2432159 0.86 NPC1 (0.37) MGAMGAASIMGAM2NPC1
SCHEMBL1136382 0.85 MAOB (0.40) MGAMGAASIMGAM2NPC1
SCHEMBL1136119 0.85 MAOB (0.40) MGAMGAASIMGAM2NPC1
SCHEMBL2429424 0.84 DYRK1A (0.39) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL2438266 0.82 PDE3B (0.38) MGAMGAASIMGAM2NPC1
SCHEMBL2432282 0.81 NPC1 (0.37) MGAMGAASIMGAM2NPC1
SCHEMBL2429582 0.81 IDO1 (0.36) NPC1RAB9AIDO1KDM4EALDH1A1
SCHEMBL2428164 0.81 MAOB (0.40) MGAMGAASIMGAM2NPC1

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 9 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
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 MGAM 4689/4885GAA 910/4885SI 4485/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 MGAM 4689/4885GAA 910/4885SI 4485/4885

“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.