SCHEMBL3473963

SCHEMBL3473963

CNc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 1.00
CYP2C9 P11712 13/20 0.76
KDM4E B2RXH2 1/20 0.66

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
SCHEMBL3473450 0.89 EPHX2 (0.79) EPHX2CYP2C9
SCHEMBL2260526 0.87 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL3475964 0.86 EPHX2 (0.76) EPHX2CYP2C9KDM4E
SCHEMBL3474826 0.86 EPHX2 (0.76) EPHX2CYP2C9
SCHEMBL2791197 0.85 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL2261854 0.85 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL2790708 0.84 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL2258419 0.83 EPHX2 (0.91) EPHX2CYP2C9
SCHEMBL2262439 0.83 EPHX2 (0.78) EPHX2CYP2C9
SCHEMBL2259128 0.83 EPHX2 (1.00) EPHX2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311775-A1 Novel sEH Inhibitors and Their Use SMITHKLINE BEECHAM CORPORATION (US) 2010-12-09 US disclosed
US-20100311775-A1 Novel sEH Inhibitors and Their Use SMITHKLINE BEECHAM CORPORATION (US) 2010-12-09 US disclosed
US-20100311775-A1 Novel sEH Inhibitors and Their Use SMITHKLINE BEECHAM CORPORATION (US) 2010-12-09 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-20100311775-A1 Novel sEH Inhibitors and Their Use EPHX1, NCEH1, FAH EPHX2 4/4885CYP2C9 160/4885KDM4E 1350/4885

“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.