SCHEMBL884729

SCHEMBL884729

FC(F)(F)c1ccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.43
S1PR1 P21453 2/20 0.42
KCNH2 Q12809 4/20 0.36
RXFP3 Q9NSD7 1/20 0.36
NPC1 O15118 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR1 O14842 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
SCHEMBL2062380 0.93 KCNA5 (0.47) KCNA5S1PR1KCNH2
SCHEMBL884813 0.91 KCNA5 (0.43) KCNA5KCNH2NPC1
SCHEMBL886357 0.91 KCNA5 (0.54) KCNA5S1PR1KCNH2NPC1CYP3A4
SCHEMBL885452 0.91 RPS6KB1 (0.38) KCNA5S1PR1KCNH2NPC1
SCHEMBL885665 0.90 KCNA5 (0.42) KCNA5KCNH2NPC1
SCHEMBL2063303 0.90 KCNA5 (0.45) KCNA5S1PR1KCNH2NPC1CYP3A4
SCHEMBL2063221 0.89 ALDH1A1 (0.41) KCNA5KCNH2NPC1
SCHEMBL2062951 0.89 KCNA5 (0.43) KCNA5S1PR1KCNH2TRPV1
SCHEMBL885978 0.89 KCNA5 (0.42) KCNA5KCNH2NPC1
SCHEMBL2063828 0.87 CPT2 (0.36) KCNA5KCNH2NPC1CYP3A4

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 11/4885S1PR1 1283/4885KCNH2 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.