SCHEMBL103867

SCHEMBL103867

OCc1cc2c(cn1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
ALDH1A1 P00352 2/20 0.34
PDCD1 Q15116 5/20 0.33
CD274 Q9NZQ7 5/20 0.33
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
CHRNA7 P36544 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4133972 0.92 NOTUM (0.39) NOTUMALDH1A1NPC1RAB9AKDM4E
SCHEMBL5751455 0.80 KCNH2 (0.35) NOTUMKCNH2RAB9AMAPTLMNA
SCHEMBL12000016 0.80 MAOB (0.34) NOTUMCTNNB1WNT3AKCNH2NPC1
SCHEMBL13948585 0.80 KCNH2 (0.33) NOTUMCTNNB1WNT3AKCNH2RAB9A
SCHEMBL2793390 0.80 LMNA (0.33) NOTUMCD274KCNH2NPC1RAB9A
SCHEMBL25477295 0.80 KCNH2 (0.33) NOTUMKCNH2RAB9A
SCHEMBL10052582 0.80 ATM (0.36) ALDH1A1KCNH2RAB9AKDM4EATM
SCHEMBL2939393 0.79 PRKCI (0.38) NOTUMALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL30718791 0.79 PRKCI (0.38) NOTUMALDH1A1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2799107 0.78 SLC2A1 (0.34) NOTUMKCNH2NPC1RAB9AKDM4E

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 US disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
EP-2221309-B1 NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2013-07-24 EP disclosed
EP-2221309-B1 NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2013-07-24 EP disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 WO disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 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 (1 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-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 NOTUM 1609/4885ALDH1A1 3693/4885PDCD1 1958/4885

“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.