SCHEMBL3475200

SCHEMBL3475200

Nc1nc(N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)ncc1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
EPHX2 P34913 12/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3474969 0.94 CA12 (0.49) P2RX7CA12CA1CA2CA9
SCHEMBL3473081 0.93 TDP1 (0.48) P2RX7CA12CA1CA2CA9
SCHEMBL3471908 0.93 SMN1; SMN2 (0.46) P2RX7CA12CA1CA2CA9
SCHEMBL3473435 0.92 SMN1; SMN2 (0.50) P2RX7CA12CA1CA2CA9
SCHEMBL3472529 0.87 EPHX2 (0.55) P2RX7CA12CA1CA2CA9
SCHEMBL3473076 0.87 SMN1; SMN2 (0.47) P2RX7CA12CA1CA2CA9
SCHEMBL3473937 0.87 DGAT2 (0.49) P2RX7EPHX2SMN1; SMN2GAAHTT
SCHEMBL13876177 0.80 EPHX2 (0.61) P2RX7EPHX2GAAHTTKDM4E
SCHEMBL2265219 0.78 EPHX2 (0.57) P2RX7EPHX2SMN1; SMN2GAAHTT
SCHEMBL2261513 0.75 EPHX2 (0.66) EPHX2SMN1; SMN2GAAHTT

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 P2RX7 3394/4885CA12 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.