SCHEMBL4580891

SCHEMBL4580891

O=C(O)N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KCNA5 P22460 9/20 0.47
EPHX2 P34913 2/20 0.44
KCNH2 Q12809 5/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP19A1 P11511 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9902165 0.89 KCNA5 (0.58) KCNA5KCNH2
SCHEMBL9901968 0.89 KCNA5 (0.58) KCNA5KCNH2
SCHEMBL1242047 0.81 LMNA (0.46) POLBKCNA5EPHX2
SCHEMBL1242102 0.81 RAB9A (0.41) POLBKCNA5EPHX2KCNH2KDM4E
SCHEMBL1243103 0.81 ADAMTS5 (0.41) POLBKCNA5EPHX2CYP11B1CYP11B2
SCHEMBL1240787 0.80 KCNA5 (0.53) KCNA5KCNH2
SCHEMBL1240785 0.80 KCNA5 (0.53) KCNA5KCNH2
SCHEMBL4577826 0.80 KCNA5 (0.53) KCNA5KCNH2
SCHEMBL1240499 0.79 ADORA3 (0.48)
SCHEMBL1242256 0.79 TDP1 (0.54) POLBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 POLB 4819/4885KCNA5 11/4885EPHX2 3824/4885

“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.