SCHEMBL884598

SCHEMBL884598

NC(=O)c1ncccc1CC(c1cccnc1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.55
KCNH2 Q12809 5/20 0.52
TBXAS1 P24557 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL884677 0.83 KCNA5 (0.59) KCNA5KCNH2TBXAS1SMN1; SMN2LMNA
SCHEMBL884558 0.83 KCNA5 (0.51) KCNA5KCNH2TBXAS1SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL2063813 0.83 KCNA5 (0.52) KCNA5KCNH2TBXAS1SMN1; SMN2LMNA
SCHEMBL884517 0.81 KCNA5 (0.52) KCNA5KCNH2TBXAS1LMNA
SCHEMBL884747 0.80 KCNA5 (0.58) KCNA5KCNH2F7F3SARM1
SCHEMBL884727 0.78 KCNA5 (0.59) KCNA5KCNH2SMN1; SMN2LMNAL3MBTL1
SCHEMBL25354169 0.77 NOS3 (0.50) LMNAL3MBTL1KDM4ECYP1A2MAPT
SCHEMBL25354172 0.77 NOS3 (0.50) LMNAL3MBTL1KDM4ECYP1A2MAPT
SCHEMBL4260288 0.76 KDM4E (0.44) L3MBTL1KDM4ECYP1A2MAPT
SCHEMBL884646 0.76 KCNA5 (0.71) KCNA5KCNH2TBXAS1F7F3

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 3/4885TBXAS1 1546/4885

“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.