SCHEMBL5455069

SCHEMBL5455069

COc1ccccc1C(=O)NC(c1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)N=S)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KCNA5 P22460 1/20 0.42
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
KCNA3 P22001 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL6221527 0.91 ALDH1A1 (0.46) HPGDALDH1A1KCNA5TP53GLA
SCHEMBL5455692 0.89 ALDH1A1 (0.44) HPGDALDH1A1KCNA5MEN1KMT2A
SCHEMBL5463458 0.84 ALDH1A1 (0.47) HPGDALDH1A1KCNA5MEN1KMT2A
SCHEMBL5460016 0.82 ALDH1A1 (0.39) HPGDALDH1A1KCNA5TP53GLA
SCHEMBL5460073 0.79 HPGD (0.44) HPGDALDH1A1KCNA5TP53GLA
SCHEMBL5457922 0.78 ALDH1A1 (0.45) HPGDALDH1A1KCNA5TP53GLA
SCHEMBL2867921 0.77 LMNA (0.44) HPGDALDH1A1KCNA5MEN1KMT2A
SCHEMBL5463840 0.77 ALDH1A1 (0.47) HPGDALDH1A1KCNA5TP53GLA
SCHEMBL3455507 0.77 MEN1 (0.62) HPGDALDH1A1KCNA5MEN1KMT2A
SCHEMBL2857422 0.76 KCNA3 (0.62) ALDH1A1MEN1KMT2AKCNA3

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 HPGD 3115/4885ALDH1A1 4075/4885KCNA5 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.