SCHEMBL3473443

SCHEMBL3473443

CNc1nc(-c2ccccc2)cc(N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
EPHX2 P34913 15/20 0.56
CYP2C9 P11712 4/20 0.51
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
P2RX7 Q99572 2/20 0.48

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
SCHEMBL2787853 0.87 EPHX2 (0.67) SMN1; SMN2EPHX2CYP2C9GAAHTT
SCHEMBL3473829 0.84 SMN1; SMN2 (0.69) SMN1; SMN2EPHX2CYP2C9GAAHTT
SCHEMBL3474830 0.84 EPHX2 (0.55) SMN1; SMN2EPHX2CYP2C9GAAHTT
SCHEMBL3471782 0.83 EPHX2 (0.79) EPHX2CYP2C9
SCHEMBL3472485 0.82 POLB (0.55) SMN1; SMN2EPHX2CYP2C9GAAHTT
SCHEMBL2786704 0.79 EPHX2 (0.66) EPHX2CYP2C9GAAHTTP2RX7
SCHEMBL2261513 0.79 EPHX2 (0.66) SMN1; SMN2EPHX2CYP2C9GAAHTT
SCHEMBL2786343 0.78 EPHX2 (0.57) SMN1; SMN2EPHX2CYP2C9GAAHTT
SCHEMBL2265564 0.77 EPHX2 (0.57) SMN1; SMN2EPHX2CYP2C9KDM4EP2RX7
SCHEMBL2677652 0.77 EPHX2 (0.55) SMN1; SMN2EPHX2CYP2C9GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US claimed
US-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
US-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
US-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
WO-2009097474-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 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-20100324076-A1 Novel sEH Inhibitors and their Use EPHX1, NCEH1, PCSK9 SMN1; SMN2 4459/4885EPHX2 5/4885CYP2C9 201/4885

“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.