SCHEMBL3471908

SCHEMBL3471908

CN(C)c1ccc(-c2cnc(N3CCC(C(=O)NCc4ccc(Cl)cc4Cl)CC3)nc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 11/20 0.46
P2RX7 Q99572 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
PTPN11 Q06124 1/20 0.42

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
SCHEMBL3475200 0.93 P2RX7 (0.49) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3473076 0.92 SMN1; SMN2 (0.47) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3473081 0.89 TDP1 (0.48) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3474969 0.89 CA12 (0.49) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3473435 0.87 SMN1; SMN2 (0.50) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3473937 0.84 DGAT2 (0.49) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3472529 0.82 EPHX2 (0.55) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL13876177 0.75 EPHX2 (0.61) EPHX2P2RX7GAAHTT
SCHEMBL2265219 0.75 EPHX2 (0.57) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3475524 0.71 EPHX2 (0.66) SMN1; SMN2EPHX2P2RX7GAAHTT

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 5/4885P2RX7 3394/4885

“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.