SCHEMBL3473829

SCHEMBL3473829

CNc1cc(-c2ccccc2)nc(N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
EPHX2 P34913 14/20 0.55
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP2C9 P11712 4/20 0.51
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3475524 0.87 EPHX2 (0.66) SMN1; SMN2EPHX2KDM4EHPGDHSD17B10
SCHEMBL3473443 0.84 SMN1; SMN2 (0.59) SMN1; SMN2EPHX2KDM4ECYP2C9GAA
SCHEMBL3474830 0.84 EPHX2 (0.55) SMN1; SMN2EPHX2KDM4EHPGDUSP2
SCHEMBL3473450 0.83 EPHX2 (0.79) SMN1; SMN2EPHX2CYP2C9
SCHEMBL2786704 0.79 EPHX2 (0.66) EPHX2CYP2C9GAAHTT
SCHEMBL2261513 0.79 EPHX2 (0.66) SMN1; SMN2EPHX2CYP2C9GAAHTT
SCHEMBL13876177 0.78 EPHX2 (0.61) EPHX2KDM4ECYP2C9GAAHTT
SCHEMBL2265219 0.78 EPHX2 (0.57) SMN1; SMN2EPHX2KDM4EGAAHTT
SCHEMBL3472485 0.77 POLB (0.55) SMN1; SMN2EPHX2KDM4EHPGDUSP2
SCHEMBL2265564 0.76 EPHX2 (0.57) SMN1; SMN2EPHX2KDM4EALDH1A1CYP2C9

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 5/4885KDM4E 886/4885

“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.