SCHEMBL3550756

SCHEMBL3550756

COc1ccc2ncc(F)c(C(C)C(=O)O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL4226513 0.88 KCNH2 (0.42) KCNH2
SCHEMBL3016638 0.85 POLB (0.35) KCNH2AKR1C3AKR1C2
SCHEMBL3544996 0.82 KCNH2 (0.42) KCNH2
SCHEMBL3229950 0.81 PTGS2 (0.40) AKR1C3AKR1C2
SCHEMBL1712232 0.80 KCNH2 (0.40) KCNH2
SCHEMBL1712230 0.79 KCNH2 (0.45) KCNH2
SCHEMBL1723454 0.78 KCNH2 (0.48) KCNH2
SCHEMBL2291676 0.78 KCNH2 (0.48) KCNH2
SCHEMBL3377830 0.78 KCNH2 (0.42) KCNH2
SCHEMBL15979192 0.76 KCNH2 (0.45) KCNH2

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-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 US 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS KCNH2 2161/4885AKR1C3 3170/4885AKR1C2 3879/4885

“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.