SCHEMBL3472999

SCHEMBL3472999

CNc1cc(N2CCc3cc(C(=O)NCc4ccc(Cl)cc4Cl)ccc32)nc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
NLRP1 Q9C000 1/20 0.45
DDR1 Q08345 2/20 0.43
ROCK2 O75116 2/20 0.42
P2RX7 Q99572 1/20 0.42
ROCK1 Q13464 1/20 0.40

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
SCHEMBL3470808 0.89 EPHX2 (0.42) EPHX2LMNAMAPK1NLRP1DDR1
SCHEMBL2907081 0.85 EPHX2 (0.53) EPHX2LMNAMAPK1NLRP1DDR1
SCHEMBL3471137 0.85 LMNA (0.46) EPHX2LMNAMAPK1NLRP1DDR1
SCHEMBL2908128 0.81 EPHX2 (0.58) EPHX2LMNAMAPK1NLRP1DDR1
SCHEMBL3470911 0.81 EPHX2 (0.62) EPHX2
SCHEMBL2908406 0.81 EPHX2 (0.54) EPHX2LMNAMAPK1NLRP1DDR1
SCHEMBL13218652 0.80 EPHX2 (0.65) EPHX2LMNAMAPK1NLRP1DDR1
SCHEMBL3470030 0.79 EPHX2 (0.49) EPHX2ROCK2ROCK1
SCHEMBL3028889 0.77 EPHX2 (0.59) EPHX2LMNAMAPK1NLRP1DDR1
SCHEMBL2908865 0.77 SCN9A (0.50) EPHX2LMNAMAPK1NLRP1DDR1

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-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US claimed
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US disclosed
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US disclosed
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US disclosed
WO-2009073772-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE EPHX1, REN, NCEH1 EPHX2 9/4885LMNA 2136/4885MAPK1 1847/4885

“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.