SCHEMBL884628

SCHEMBL884628

CC(=O)Nc1ccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.61
KCNH2 Q12809 6/20 0.61
ITGB3 P05106 2/20 0.48
ITGAV P06756 2/20 0.48
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ITGA2B P08514 1/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL884777 0.90 KCNA5 (0.73) KCNA5KCNH2ITGB3ITGAVPOLB
SCHEMBL884938 0.86 KCNA5 (0.67) KCNA5KCNH2ITGB3ITGAVPOLB
SCHEMBL2063360 0.84 KCNA5 (0.71) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL884898 0.84 KCNA5 (0.59) KCNA5KCNH2POLBCYP11B1CYP11B2
SCHEMBL884445 0.84 KCNA5 (0.54) KCNA5KCNH2ITGB3ITGAVPOLB
SCHEMBL884583 0.84 KCNA5 (0.82) KCNA5KCNH2SLC22A12
SCHEMBL2063320 0.82 KCNA5 (0.65) KCNA5KCNH2NPC1RAB9A
SCHEMBL2062791 0.82 KCNA5 (0.74) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL884640 0.82 KCNA5 (0.60) KCNA5KCNH2
SCHEMBL884688 0.82 KCNA5 (0.69) KCNA5KCNH2CYP11B1CYP11B2ALDH1A1

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 3/4885ITGB3 3710/4885

“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.