SCHEMBL13801062

SCHEMBL13801062

C[C@H](OC(=O)NCc1ccccc1-c1cccnc1C(=O)NCCc1ccccn1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.82
KCNA3 P22001 2/20 0.82
KCNK3 O14649 1/20 0.56
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2212471 0.90 KCNA5 (1.00) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL498107 0.90 KCNA5 (1.00) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL498106 0.90 KCNA5 (1.00) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL727201 0.85 KCNA5 (0.76) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL5697890 0.85 KCNA5 (0.76) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL12434426 0.84 KCNA5 (0.88) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL12434428 0.84 KCNA5 (0.88) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL12434425 0.84 KCNA5 (0.88) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL4230136 0.83 KCNA5 (0.58) KCNA5KCNA3KCNK3TAS1R3TAS1R1
SCHEMBL13801064 0.83 KCNA5 (1.00) KCNA5KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-11 US disclosed
US-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-11 US disclosed
WO-2007124849-A2 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-08 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-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL KCNN3, CACNA1I, KCNN1 KCNA5 67/4885KCNA3 28/4885KCNK3 18/4885

“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.