SCHEMBL2435652

SCHEMBL2435652

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.40
GAA P10253 5/20 0.40
SI P14410 5/20 0.40
MGAM2 Q2M2H8 5/20 0.40
FAAH O00519 3/20 0.39
RET P07949 2/20 0.37
ACE2 Q9BYF1 1/20 0.36
CNR1 P21554 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH2 P05091 2/20 0.35
LTA4H P09960 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 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
SCHEMBL12327750 0.88 GABRA1 (0.38) ACE2
SCHEMBL1136230 0.87 MGAM (0.40) MGAMGAASIMGAM2FAAH
SCHEMBL2432159 0.87 NPC1 (0.37) MGAMGAASIMGAM2NPC1
SCHEMBL2433761 0.86 CDK5 (0.38) NPC1RAB9AKDM4E
SCHEMBL2430527 0.83 PDE5A (0.40) NPC1RAB9AKDM4E
SCHEMBL2521643 0.82 CCNE1 (0.35) NPC1RAB9AKDM4E
SCHEMBL2431029 0.80 MAPT (0.41) NPC1RAB9AKDM4EPOLBJAK2
SCHEMBL2430337 0.79 PDE5A (0.40) KDM4EJAK2JAK3
SCHEMBL2431498 0.79 ALDH1A1 (0.41) MGAMFAAHRETCNR1NPC1
SCHEMBL2432282 0.78 NPC1 (0.37) 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 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
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP 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.