SCHEMBL3606058

SCHEMBL3606058

O=c1ccc2ccc(F)c3c2n1[C@H](CO)CO3

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3648482 0.88 CNR1 (0.32) CNR1CNR2
SCHEMBL4589655 0.84
SCHEMBL4590519 0.81 CNR1 (0.39) CNR1CNR2
SCHEMBL3618035 0.81 KCNH2 (0.35) CNR1CNR2KCNH2
SCHEMBL3615607 0.81 KCNH2 (0.35) CNR1CNR2KCNH2
SCHEMBL3615776 0.79 CNR1 (0.30) CNR1CNR2
SCHEMBL3618278 0.77 CYP19A1 (0.37)
SCHEMBL3602537 0.77 SIGMAR1 (0.35) CNR1CNR2
SCHEMBL3783120 0.76 AADAT (0.30)
SCHEMBL2819610 0.76 AADAT (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS CNR1 1117/4885CNR2 1333/4885KCNH2 2914/4885

“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.