SCHEMBL1243098

SCHEMBL1243098

OC(c1ccc(F)cc1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
CYP17A1 P05093 1/20 0.46
KCNA5 P22460 6/20 0.46
KCND3 Q9UK17 2/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP19A1 P11511 1/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL1378412 0.87 KCNA5 (0.56) POLBSMN1; SMN2CYP17A1KCNA5KCND3
SCHEMBL3888426 0.87 KCNA5 (0.56) POLBSMN1; SMN2CYP17A1KCNA5KCND3
SCHEMBL6420068 0.84 SMN1; SMN2 (0.72) POLBSMN1; SMN2CYP17A1CFTRSLC6A2
SCHEMBL1381088 0.82 KCNA5 (0.52) POLBSMN1; SMN2CYP17A1KCNA5KCND3
Hydrochloric Acid SCHEMBL9030540 0.82 SMN1; SMN2 (0.70) POLBSMN1; SMN2CYP17A1CFTRSLC6A2
SCHEMBL11632827 0.79 SLC6A2 (0.70) POLBSMN1; SMN2CYP17A1KCNA5KCND3
SCHEMBL1378196 0.78 KCNA5 (0.49) POLBSMN1; SMN2CYP17A1KCNA5KCND3
SCHEMBL1243500 0.77 POLB (0.49) POLBSMN1; SMN2KCNA5KCND3KCNE1
SCHEMBL10371774 0.76 POLB (0.51) POLBSMN1; SMN2CYP17A1KCNA5KCND3
SCHEMBL3887188 0.76 CFTR (0.62) SMN1; SMN2CYP17A1KCNA5CFTRSLC6A2

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 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
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 POLB 4819/4885SMN1; SMN2 4477/4885CYP17A1 3931/4885

“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.