SCHEMBL3474830

SCHEMBL3474830

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.55
CYP2C9 P11712 3/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.52
PTGDR Q13258 1/20 0.50
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 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
SCHEMBL3472485 0.89 POLB (0.55) EPHX2CYP2C9POLBMAPTSMN1; SMN2
SCHEMBL2786704 0.87 EPHX2 (0.66) EPHX2CYP2C9PTGDRGAAHTT
SCHEMBL3473443 0.84 SMN1; SMN2 (0.59) EPHX2CYP2C9SMN1; SMN2GAAHTT
SCHEMBL3473829 0.84 SMN1; SMN2 (0.69) EPHX2CYP2C9SMN1; SMN2USP2HPGD
SCHEMBL3474823 0.83 EPHX2 (0.79) EPHX2CYP2C9POLBMAPT
SCHEMBL3469886 0.80 HDAC8 (0.43) EPHX2SMN1; SMN2LMNATSHR
SCHEMBL3475524 0.79 EPHX2 (0.66) EPHX2MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2787853 0.79 EPHX2 (0.67) EPHX2CYP2C9MAPTSMN1; SMN2GAA
SCHEMBL2786343 0.78 EPHX2 (0.57) EPHX2CYP2C9SMN1; SMN2GAAHTT
SCHEMBL2265564 0.77 EPHX2 (0.57) EPHX2CYP2C9POLBMAPTSMN1; 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 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 EPHX2 5/4885CYP2C9 201/4885POLB 1005/4885

“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.