SCHEMBL6370054

SCHEMBL6370054

Cc1c(F)c(F)cc2ccc(=O)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ EIF4A3 P38919 1/20 0.39
▸ HCAR1 Q9BXC0 3/20 0.34
▸ DAO P14920 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GRIN2D O15399 2/20 0.33
▸ GRIN3B O60391 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ GRIN2C Q14957 2/20 0.33
▸ GRIN3A Q8TCU5 2/20 0.33
▸ F11 P03951 1/20 0.33
▸ DDO Q99489 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 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
SCHEMBL9267952 0.87 CA12 (0.53) CA12CA9EIF4A3HCAR1DAO
SCHEMBL2819163 0.79 CA12 (0.58) CA12CA9HCAR1DAOKDM4E
SCHEMBL29496155 0.79 CA12 (0.49) CA12CA9EIF4A3HCAR1DAO
SCHEMBL6378203 0.78 CA12 (0.45) CA12CA9EIF4A3GRIN2DGRIN3B
SCHEMBL3784446 0.77 CA12 (0.55) CA12CA9EIF4A3HCAR1KDM4E
SCHEMBL12559602 0.76 CA12 (0.55) CA12CA9EIF4A3HCAR1DAO
SCHEMBL705402 0.75 CA12 (0.62) CA12CA9EIF4A3HCAR1DAO
SCHEMBL2165918 0.73 CA12 (0.60) CA12CA9DAOF11DDO
SCHEMBL18876104 0.72 TNF (0.46) —
SCHEMBL1438126 0.72 CA12 (0.44) CA12CA9HCAR1KDM4EF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096278-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 — — US disclosed
WO-2005026145-A2 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 — — 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-20050096278-A1 Antibacterial agents MRPL21, FBL, SDHA CA12 4142/4885CA9 2563/4885EIF4A3 795/4885

“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.

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