SCHEMBL3473435

SCHEMBL3473435

Nc1nc(N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)ncc1-c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
PTPN11 Q06124 2/20 0.49
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
EPHX2 P34913 10/20 0.47
P2RX7 Q99572 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45

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 0.92 P2RX7 (0.49) SMN1; SMN2EPHX2P2RX7CA12CA1
SCHEMBL3473076 0.91 SMN1; SMN2 (0.47) SMN1; SMN2PTPN11EPHX2P2RX7CA12
SCHEMBL3473937 0.91 DGAT2 (0.49) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3474969 0.88 CA12 (0.49) SMN1; SMN2EPHX2P2RX7CA12CA1
SCHEMBL3471908 0.87 SMN1; SMN2 (0.46) SMN1; SMN2PTPN11EPHX2P2RX7CA12
SCHEMBL3473081 0.87 TDP1 (0.48) SMN1; SMN2EPHX2P2RX7CA12CA1
SCHEMBL3472529 0.85 EPHX2 (0.55) SMN1; SMN2EPHX2P2RX7CA12CA1
SCHEMBL13876177 0.80 EPHX2 (0.61) EPHX2P2RX7GAAHTTKDM4E
SCHEMBL2265219 0.76 EPHX2 (0.57) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3473829 0.73 SMN1; SMN2 (0.69) SMN1; SMN2EPHX2GAAHTTKDM4E

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 4459/4885PTPN11 4106/4885CHRM1 2255/4885

“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.