SCHEMBL335548

SCHEMBL335548

Cc1cc(CO)cnc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.37
CYP2A6 P11509 1/20 0.36
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 4/20 0.34
KDM4E B2RXH2 1/20 0.33
SHBG P04278 1/20 0.32
FYN P06241 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KIF11 P52732 1/20 0.32
PPARD Q03181 1/20 0.32
TKT P29401 1/20 0.31

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
SCHEMBL16716586 0.82 KDM4E (0.36) AGBL2NR1H2NR1H3KDM4E
SCHEMBL18975041 0.81 KIF11 (0.39) KIF11
SCHEMBL22728415 0.81 NR1H2 (0.35) AGBL2NR1H2NR1H3
SCHEMBL335735 0.79 KIF11 (0.31) HSD17B10KIF11
SCHEMBL21503558 0.79 NPC1 (0.35) AGBL2NR1H2NR1H3KDM4EHSD17B10
SCHEMBL20696509 0.79 ALDH1A1 (0.37)
SCHEMBL18975037 0.79 NPC1 (0.43) FYNHSD17B10
SCHEMBL21503556 0.78 NR1H2 (0.32) AGBL2NR1H2NR1H3PPARD
SCHEMBL2712954 0.78 PTGS2 (0.39) AGBL2NR1H2NR1H3KDM4EHSD17B10
SCHEMBL30391692 0.78 PTGS2 (0.39) AGBL2NR1H2NR1H3KDM4EHSD17B10

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 13 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
CN-102105473-B Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2013-05-08 CN 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 AGBL2 2894/4885CYP2A6 238/4885NR1H2 251/4885

“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.