SCHEMBL5457922

SCHEMBL5457922

CCC[N+](CCC)(C(=O)N=S)[C@H]1CC[C@H](C(NC(=O)c2ccccc2OC)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KCNA5 P22460 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
KCNA3 P22001 3/20 0.39
KCNK3 O14649 2/20 0.39
CTSD P07339 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
SLC6A9 P48067 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL5463840 0.93 ALDH1A1 (0.47) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL5460073 0.83 HPGD (0.44) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL5455692 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL6221527 0.81 ALDH1A1 (0.46) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL5463458 0.78 ALDH1A1 (0.47) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL3455507 0.78 MEN1 (0.62) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL5455069 0.78 HPGD (0.44) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL2856020 0.77 KCNA3 (0.65) ALDH1A1MEN1KMT2AKCNA3
SCHEMBL6219967 0.74 ALDH1A1 (0.47) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL5345113 0.71 ALDH1A1 (0.41) ALDH1A1HPGDKCNA5MEN1KMT2A

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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885HPGD 3115/4885KCNA5 23/4885

“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.