SCHEMBL2063683

SCHEMBL2063683

NC(=O)C1CCN(C(=O)c2cccc(-c3ccccc3)c2CC(c2cccnc2)c2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
VNN1 O95497 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNA5 P22460 5/20 0.44
KCNH2 Q12809 3/20 0.44
USP2 O75604 1/20 0.41
ATM Q13315 1/20 0.41
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL2064073 0.89 VNN1 (0.47) ALDH1A1SMN1; SMN2VNN1KCNA5KCNH2
SCHEMBL884855 0.81 KCNA5 (0.60) SMN1; SMN2VNN1TDP1KCNA5KCNH2
SCHEMBL884756 0.71 KCNA5 (0.56) ALDH1A1VNN1KCNA5KCNH2NPC1
SCHEMBL2063289 0.70 KCNA5 (0.63) ALDH1A1SMN1; SMN2KCNA5KCNH2
SCHEMBL885091 0.69 LMNA (0.62) ALDH1A1SMN1; SMN2KCNA5KCNH2NPC1
SCHEMBL2063329 0.67 KCNA5 (0.67) ALDH1A1SMN1; SMN2KCNA5KCNH2NPC1
SCHEMBL2063710 0.67 KCNA5 (0.67) ALDH1A1SMN1; SMN2KCNA5KCNH2NPC1
SCHEMBL2063815 0.67 KCNA5 (0.66) ALDH1A1SMN1; SMN2KCNA5KCNH2NPC1
SCHEMBL885578 0.65 KCNA5 (0.59) ALDH1A1SMN1; SMN2KCNA5KCNH2RAB9A
SCHEMBL884651 0.65 KCNA5 (0.64) KCNA5KCNH2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2989/4885SMN1; SMN2 4477/4885VNN1 2972/4885

“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.