SCHEMBL4580307

SCHEMBL4580307

O=C(O)COC(c1ccc(F)cc1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
EPHX2 P34913 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
TBXAS1 P24557 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNQ1 P51787 1/20 0.40
KCND3 Q9UK17 1/20 0.40
LMNA P02545 2/20 0.39
PTGIR P43119 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL12890794 0.86 POLB (0.51) POLBEPHX2KCNE1KCNA5KCNQ1
SCHEMBL1242902 0.79 POLB (0.41) POLBEPHX2KMT2AKCNE1KCNA5
SCHEMBL1243120 0.79 POLB (0.50) POLBEPHX2TBXAS1KMT2AATM
SCHEMBL1243500 0.76 POLB (0.49) POLBKMT2AATMKCNE1KCNA5
SCHEMBL1242331 0.74 KCNA5 (0.52) POLBEPHX2KMT2AATMKCNE1
SCHEMBL3888426 0.74 KCNA5 (0.56) POLBEPHX2KMT2AKCNE1KCNA5
SCHEMBL1378412 0.74 KCNA5 (0.56) POLBEPHX2KMT2AKCNE1KCNA5
SCHEMBL369482 0.73 TBXAS1 (0.44) EPHX2TBXAS1KCNA5LMNASMN1; SMN2
SCHEMBL1243098 0.73 POLB (0.54) POLBEPHX2KCNE1KCNA5KCNQ1
SCHEMBL1243519 0.71 POLB (0.50) POLBEPHX2KMT2AKCNE1KCNA5

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 4819/4885EPHX2 3824/4885PTGDR2 3569/4885

“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.