SCHEMBL4456913

SCHEMBL4456913

CCOc1ccc(N(CC(c2cccnc2)c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.44
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
CFTR P13569 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GOPC Q9HD26 1/20 0.35
GRM2 Q14416 4/20 0.34
NPC1 O15118 1/20 0.34
PDE4D Q08499 1/20 0.34
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4461703 0.84 KCNA5 (0.43) KCNA5MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL4459578 0.79 KCNA5 (0.43) KCNA5MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL4458827 0.77 CYP19A1 (0.43) KCNA5MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL13971458 0.75 ELOVL1 (0.42) KCNA5MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL4460589 0.74 CYP19A1 (0.46) KCNA5MAPTSLC6A2SLC6A4
SCHEMBL4457212 0.73 KCNA5 (0.42) KCNA5SLC6A2SLC6A4CFTRSLC6A3
SCHEMBL4456909 0.72 CYP19A1 (0.38) KCNA5MAPT
SCHEMBL4461911 0.72 CYP19A1 (0.46) KCNA5MAPTLMNASLC6A2SLC6A4
SCHEMBL4459300 0.71 KCNA5 (0.36) KCNA5MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL4453034 0.71 KCNA5 (0.33) KCNA5MAPTSMN1; SMN2LMNAL3MBTL1

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 1 patent. 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

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 KCNA5 11/4885MAPT 2245/4885SMN1; SMN2 3817/4885

“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.