SCHEMBL3472529

SCHEMBL3472529

Nc1nc(N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)ncc1Br

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
P2RX7 Q99572 3/20 0.51
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
GRM2 Q14416 1/20 0.48
GRM3 Q14832 1/20 0.48
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 0.87 P2RX7 (0.49) EPHX2CA12CA1CA2CA9
SCHEMBL3473435 0.85 SMN1; SMN2 (0.50) EPHX2CA12CA1CA2CA9
SCHEMBL3474969 0.84 CA12 (0.49) EPHX2CA12CA1CA2CA9
SCHEMBL3471908 0.82 SMN1; SMN2 (0.46) EPHX2CA12CA1CA2CA9
SCHEMBL3473081 0.82 TDP1 (0.48) EPHX2CA12CA1CA2CA9
SCHEMBL13876177 0.81 EPHX2 (0.61) EPHX2P2RX7GAAHTT
SCHEMBL3473076 0.80 SMN1; SMN2 (0.47) EPHX2CA12CA1CA2CA9
SCHEMBL3473937 0.80 DGAT2 (0.49) EPHX2P2RX7GAAHTTSMN1; SMN2
SCHEMBL2265219 0.77 EPHX2 (0.57) EPHX2P2RX7GAAHTTSMN1; SMN2
SCHEMBL3475524 0.75 EPHX2 (0.66) EPHX2P2RX7GAAHTTSMN1; SMN2

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-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
EP-2240021-A1 NOVEL SEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-10-20 EP 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 EPHX2 5/4885CA12 4471/4885CA1 3759/4885

“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.