SCHEMBL884852

SCHEMBL884852

CS(=O)(=O)Nc1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.78
KCNH2 Q12809 7/20 0.78
CYP1A2 P05177 5/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2D6 P10635 5/20 0.50
CYP2C19 P33261 3/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CLK4 Q9HAZ1 2/20 0.49
USP2 O75604 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP2C9 P11712 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 1/20 0.47
BRD4 O60885 2/20 0.47
CYP17A1 P05093 1/20 0.45

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
SCHEMBL884582 0.88 KCNA5 (0.67) KCNA5KCNH2ALDH1A1CYP17A1
SCHEMBL884546 0.88 KCNA5 (1.00) KCNA5KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2063816 0.86 KCNA5 (0.68) KCNA5KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL885692 0.86 KCNA5 (0.60) KCNA5KCNH2ALDH1A1MAPT
SCHEMBL2063340 0.84 KCNA5 (0.67) KCNA5KCNH2
SCHEMBL884588 0.81 KCNA5 (0.59) KCNA5KCNH2
SCHEMBL884655 0.80 KCNA5 (0.70) KCNA5KCNH2
SCHEMBL2062779 0.79 KCNA5 (1.00) KCNA5KCNH2TSHR
SCHEMBL2063707 0.77 KCNA5 (1.00) KCNA5KCNH2TSHR
SCHEMBL884689 0.77 KCNA5 (0.68) KCNA5KCNH2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885CYP1A2 2371/4885

“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.