SCHEMBL6378203

SCHEMBL6378203

COc1c(F)c(F)cc2ccc(=O)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ NQO2 P16083 6/20 0.39
▸ CYP19A1 P11511 5/20 0.39
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ CNR2 P34972 3/20 0.35
▸ EIF4A3 P38919 1/20 0.33
▸ PDE7A Q13946 2/20 0.33
▸ PDE4A P27815 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 0.79 CA12 (0.53) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL6370054 0.78 CA12 (0.49) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL27364123 0.75 CA12 (0.50) CA12CA9NQO2PDE7A
SCHEMBL28427455 0.75 CA12 (0.44) CA12CA9NQO2CYP19A1GRIN2D
SCHEMBL29496155 0.75 CA12 (0.49) CA12CA9EIF4A3
SCHEMBL30908307 0.73 CYP19A1 (0.46) CA12CA9NQO2CYP19A1
SCHEMBL4589419 0.71 CA12 (0.53) CA12CA9NQO2CYP19A1GRIN2D
SCHEMBL17543476 0.71 NQO2 (0.44) CA12CA9NQO2CYP19A1PDE4A
SCHEMBL2165918 0.70 CA12 (0.60) CA12CA9
SCHEMBL12559602 0.69 CA12 (0.55) CA12CA9GRIN2DGRIN3BGRIN1

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 2563/4885NQO2 139/4885

“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.

Send feedback