SCHEMBL1243418

SCHEMBL1243418

O=S1(=O)CCCN1C(c1ccc(F)cc1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNE1 P15382 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNQ1 P51787 1/20 0.38
KCND3 Q9UK17 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL1243420 0.86 POLB (0.40) CYP19A1CYP11B1CYP11B2TSHRPOLB
SCHEMBL1240967 0.79 MGLL (0.46) CYP19A1CYP11B1CYP11B2KCNH2KCNA5
SCHEMBL1240440 0.78 KCNA5 (0.45) CYP19A1CYP11B1CYP11B2TSHRPOLB
SCHEMBL1242199 0.75 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2TSHRPOLB
SCHEMBL1242866 0.73 MAPT (0.51) TSHRPOLBMAPTKCNH2KCNA5
SCHEMBL1243229 0.71 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2TSHRPOLB
SCHEMBL1378412 0.71 KCNA5 (0.56) CYP19A1CYP11B1CYP11B2POLBKCNE1
SCHEMBL3888426 0.71 KCNA5 (0.56) CYP19A1CYP11B1CYP11B2POLBKCNE1
SCHEMBL1243214 0.70 KCNA5 (0.49) TSHRPOLBLMNATP53MAPT
SCHEMBL1240859 0.68 POLB (0.47) TSHRPOLBLMNATP53MAPT

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 6 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 claimed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US 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 CYP19A1 4632/4885CYP11B1 3290/4885CYP11B2 2950/4885

“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.