SCHEMBL886357

SCHEMBL886357

FC(F)(F)c1cccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.54
KCNH2 Q12809 2/20 0.46
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
S1PR1 P21453 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HDAC1 Q13547 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
SCHEMBL2062380 0.94 KCNA5 (0.47) KCNA5KCNH2MEN1KMT2AS1PR1
SCHEMBL884729 0.91 KCNA5 (0.43) KCNA5KCNH2NPC1S1PR1CYP3A4
SCHEMBL886322 0.90 KCNA5 (0.39) KCNA5KCNH2S1PR1CYP1A2CYP3A4
SCHEMBL885978 0.88 KCNA5 (0.42) KCNA5KCNH2NPC1RAB9AKDM4E
SCHEMBL885665 0.88 KCNA5 (0.42) KCNA5KCNH2NPC1RAB9AKDM4E
SCHEMBL2062951 0.88 KCNA5 (0.43) KCNA5KCNH2MEN1KMT2AS1PR1
SCHEMBL884813 0.86 KCNA5 (0.43) KCNA5KCNH2NPC1RAB9AMEN1
SCHEMBL886749 0.86 KCNA5 (0.54) KCNA5KCNH2NPC1RAB9AMEN1
SCHEMBL2063159 0.86 CHRNB2 (0.47) KCNA5KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL885452 0.85 RPS6KB1 (0.38) KCNA5KCNH2NPC1RAB9AKDM4E

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 3/4885NPC1 660/4885

“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.