SCHEMBL15075698

SCHEMBL15075698

Cn1c2c(c(=O)[nH]c1=O)N(CCN)CN2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.39
▸ GFER P55789 1/20 0.34
▸ KDM1A O60341 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
SCHEMBL15075645 0.81 ALDH1A1 (0.39) EPHX2GFER
SCHEMBL18819656 0.80 EPHX2 (0.35) EPHX2GFER
SCHEMBL15075715 0.80 EPHX2 (0.35) EPHX2GFER
SCHEMBL18819094 0.79 EPHX2 (0.34) EPHX2GFER
SCHEMBL18819443 0.76 EPHX2 (0.41) EPHX2GFERKDM1A
SCHEMBL4532617 0.76 ALDH1A1 (0.40) —
SCHEMBL18819722 0.71 EPHX2 (0.37) EPHX2GFER
SCHEMBL21711064 0.67 — —
SCHEMBL15597047 0.60 CYP3A4 (0.38) EPHX2GFER
SCHEMBL18819567 0.60 EPHX2 (0.35) EPHX2GFERKDM1A

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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 EPHX2 838/4885GFER 1214/4885KDM1A 2186/4885

“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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