SCHEMBL4472130

SCHEMBL4472130

C[S+]([O-])c1cccc(N(c2ccccc2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CFTR P13569 2/20 0.40
GOPC Q9HD26 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNA5 P22460 6/20 0.38
GRM2 Q14416 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KCNN4 O15554 2/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4463221 0.83 KCNA5 (0.34) SMN1; SMN2KCNA5
SCHEMBL4464202 0.80 CFTR (0.59) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4
SCHEMBL4458259 0.77 CFTR (0.55) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4
SCHEMBL4464162 0.77 KCNA5 (0.48) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4
SCHEMBL4461894 0.76 KCNA5 (0.51) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4
SCHEMBL4454560 0.76 SLC6A2 (0.41) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4
SCHEMBL4463317 0.76 CFTR (0.53) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4
SCHEMBL4457222 0.74 TAAR1 (0.43) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4
SCHEMBL4459337 0.74 CFTR (0.55) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4
SCHEMBL14435411 0.72 CFTR (0.50) SMN1; SMN2CFTRGOPCSLC6A2SLC6A4

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-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 SMN1; SMN2 3817/4885CFTR 520/4885GOPC 2527/4885

“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.