Sugi Predict

Sugi Predict / Compounds / SCHEMBL3899759

SCHEMBL3899759

SCHEMBL3899759

CS(=O)(=O)Nc1cccc(C(c2ccc(Cl)c(Cl)c2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.72
▸ KCNE1 P15382 1/20 0.72
▸ KCNQ1 P51787 1/20 0.72
▸ KCND3 Q9UK17 1/20 0.72
▸ CYP3A4 P08684 5/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ SLC6A2 P23975 4/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ SLC6A3 Q01959 4/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ TGFBR1 P36897 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ TBXAS1 P24557 2/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL3901024 0.89 KCNA5 (0.84) KCNA5KCNE1KCNQ1KCND3SLC6A3
SCHEMBL1381641 0.88 KCNA5 (0.80) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL1381563 0.86 KCNA5 (0.83) KCNA5KCNE1KCNQ1KCND3SLC6A2
SCHEMBL1378597 0.84 KCNA5 (1.00) KCNA5KCNE1KCNQ1KCND3SLC6A3
SCHEMBL1379744 0.84 KCNA5 (1.00) KCNA5KCNE1KCNQ1KCND3SLC6A3
SCHEMBL1381561 0.84 KCNA5 (1.00) KCNA5KCNE1KCNQ1KCND3SLC6A3
SCHEMBL1378627 0.82 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3KCNH2
SCHEMBL1382088 0.82 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3KCNH2
SCHEMBL1378630 0.82 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3KCNH2
SCHEMBL13715750 0.82 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3KCNH2

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 7 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
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 — — US 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
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 — — EP disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 — — US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 — — US 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

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 KCNA5 14/4885KCNE1 9/4885KCNQ1 8/4885

“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.