SCHEMBL3473937

SCHEMBL3473937

COc1cccc(-c2cnc(N3CCC(C(=O)NCc4ccc(Cl)cc4Cl)CC3)nc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
EPHX2 P34913 5/20 0.46
P2RX7 Q99572 4/20 0.46
MAPT P10636 1/20 0.45
NEK2 P51955 1/20 0.45
CHKA P35790 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3473081 0.92 TDP1 (0.48) SMN1; SMN2EPHX2P2RX7MAPTGAA
SCHEMBL3473435 0.91 SMN1; SMN2 (0.50) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3473076 0.88 SMN1; SMN2 (0.47) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3475200 0.87 P2RX7 (0.49) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3471908 0.84 SMN1; SMN2 (0.46) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3474969 0.83 CA12 (0.49) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL3472529 0.80 EPHX2 (0.55) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL13876177 0.75 EPHX2 (0.61) EPHX2P2RX7GAAHTT
SCHEMBL2265219 0.73 EPHX2 (0.57) SMN1; SMN2EPHX2P2RX7GAAHTT
SCHEMBL30924032 0.72 ACKR3 (0.61) EPHX2GAAHTT

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 DGAT2 3117/4885SMN1; SMN2 4459/4885TSHR 1936/4885

“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.