SCHEMBL884716

SCHEMBL884716

CC(C)(CO)CNC(=O)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.65
KCNH2 Q12809 7/20 0.56
SMN1; SMN2 Q16637 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
EPHX2 P34913 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL2063300 0.90 KCNA5 (0.67) KCNA5KCNH2SMN1; SMN2SUCNR1EPHX2
SCHEMBL884297 0.86 KCNA5 (0.67) KCNA5KCNH2SMN1; SMN2SUCNR1EPHX2
SCHEMBL885046 0.84 KCNA5 (0.67) KCNA5KCNH2SMN1; SMN2EPHX2CYP2C9
SCHEMBL884585 0.83 KCNA5 (0.66) KCNA5KCNH2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL884480 0.83 KCNA5 (0.71) KCNA5KCNH2EPHX2CYP2C9CYP2C19
SCHEMBL884694 0.82 KCNA5 (0.65) KCNA5KCNH2SMN1; SMN2EPHX2
SCHEMBL884739 0.81 KCNA5 (0.78) KCNA5KCNH2
SCHEMBL884689 0.81 KCNA5 (0.68) KCNA5KCNH2ADRB2ADRB1ADRB3
SCHEMBL2063939 0.81 KCNA5 (0.63) KCNA5KCNH2SMN1; SMN2
SCHEMBL884700 0.80 KCNA5 (0.67) KCNA5KCNH2SMN1; SMN2ADRB2ADRB1

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 3/4885SMN1; SMN2 4477/4885

“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.