SCHEMBL1378035

SCHEMBL1378035

N#Cc1cccc(C(c2cccnc2OCCO)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.41
KCNA5 P22460 8/20 0.41
KCNH2 Q12809 2/20 0.41
CYP19A1 P11511 2/20 0.38
KCND3 Q9UK17 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MGLL Q99685 1/20 0.37
NEK1 Q96PY6 1/20 0.36
GRM5 P41594 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL3895680 0.85 KCNA5 (0.43) VNN1KCNA5KCNH2CYP19A1KCND3
SCHEMBL13716022 0.83 KCNA5 (0.41) KCNA5KCNH2CYP19A1KCND3SGMS2
SCHEMBL1381350 0.77 CYP19A1 (0.49) VNN1KCNA5KCNH2CYP19A1CYP11B1
SCHEMBL1381261 0.77 CYP19A1 (0.49) VNN1KCNA5KCNH2CYP19A1CYP11B1
SCHEMBL1378201 0.74 CYP19A1 (0.51) VNN1KCNA5KCNH2CYP19A1CYP11B1
SCHEMBL1380955 0.74 CYP19A1 (0.46) VNN1KCNA5KCNH2CYP19A1MGLL
SCHEMBL3886038 0.72 CYP19A1 (0.44) VNN1KCNA5KCNH2CYP19A1CYP11B1
SCHEMBL9197340 0.71 SMN1; SMN2 (0.57) VNN1KCNA5KCNH2CYP19A1CYP11B1
SCHEMBL3899464 0.71 VNN1 (0.43) VNN1KCNA5KCNH2CYP19A1KCND3
SCHEMBL1243189 0.71 CYP19A1 (0.46) VNN1KCNA5KCNH2CYP19A1SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP claimed
JP-4719744-B2 2011-07-06 JP claimed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP claimed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP claimed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US claimed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US disclosed
WO-2006014877-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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 VNN1 1566/4885KCNA5 14/4885KCNH2 3/4885

“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.