SCHEMBL335597

SCHEMBL335597

COC(=O)c1cnc(C(F)(F)F)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NOTUM Q6P988 3/20 0.44
LMNA P02545 3/20 0.43
PSMD14 O00487 1/20 0.41
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
PDK2 Q15119 1/20 0.40
NR1H2 P55055 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL19582064 0.85 MAPK1 (0.44) ATMMAPK1L3MBTL1KDM4ENOTUM
SCHEMBL31523153 0.85 LMNA (0.49) ATMMAPK1L3MBTL1KDM4ENOTUM
SCHEMBL31368550 0.84 NOTUM (0.55) ATMMAPK1L3MBTL1KDM4ENOTUM
SCHEMBL32663469 0.84 PDGFRB (0.45) ATMMAPK1L3MBTL1KDM4ENOTUM
SCHEMBL335760 0.84 NOTUM (0.55) ATMMAPK1L3MBTL1KDM4ENOTUM
SCHEMBL31523671 0.84 MAPT (0.43) ATMMAPK1L3MBTL1KDM4ENOTUM
SCHEMBL15358590 0.81 HCAR2 (0.44) L3MBTL1KDM4EALDH1A1
SCHEMBL2714175 0.80 SCN9A (0.45) ATMMAPK1L3MBTL1KDM4ENOTUM
SCHEMBL487335 0.79 ATM (0.51) ATMMAPK1L3MBTL1KDM4ENOTUM
SCHEMBL335203 0.79 ATM (0.55) ATMMAPK1L3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
CN-102105473-A Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2011-06-22 CN disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB ATM 2909/4885MAPK1 3070/4885L3MBTL1 4667/4885

“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.