SCHEMBL884571

SCHEMBL884571

O=C(NCCO)c1ccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.64
KCNH2 Q12809 5/20 0.64
EPHX2 P34913 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTAFR P25105 2/20 0.48
NEK1 Q96PY6 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
GPR84 Q9NQS5 2/20 0.42
PRKACA P17612 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL884297 0.90 KCNA5 (0.67) KCNA5KCNH2EPHX2CYP2C9CYP2C19
SCHEMBL884636 0.85 KCNA5 (0.61) KCNA5KCNH2MEN1NPC1RAB9A
SCHEMBL884646 0.83 KCNA5 (0.71) KCNA5KCNH2KMT2A
SCHEMBL2062779 0.79 KCNA5 (1.00) KCNA5KCNH2KMT2A
SCHEMBL885074 0.79 KCNA5 (0.81) KCNA5KCNH2KMT2ASMN1; SMN2
SCHEMBL884480 0.78 KCNA5 (0.71) KCNA5KCNH2EPHX2CYP2C9CYP2C19
SCHEMBL2063707 0.78 KCNA5 (1.00) KCNA5KCNH2KMT2ASMN1; SMN2
SCHEMBL884938 0.78 KCNA5 (0.67) KCNA5KCNH2NPC1RAB9AKMT2A
SCHEMBL885046 0.77 KCNA5 (0.67) KCNA5KCNH2EPHX2CYP2C9CYP2C19
SCHEMBL2063325 0.77 KCNA5 (1.00) KCNA5KCNH2SMN1; SMN2

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
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
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO 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 3/4885EPHX2 3824/4885

“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.