SCHEMBL4450186

SCHEMBL4450186

COc1ccc(C(=O)N[C@H](C(N)=O)C(c2ccccc2)c2ccccc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GAA P10253 3/20 0.54
PKM P14618 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CHEK1 O14757 1/20 0.50
PIM1 P11309 1/20 0.50
MAPK8 P45983 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL4450195 1.00 ALDH1A1 (0.54) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL4450014 0.88 ALDH1A1 (0.48) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL4450021 0.88 ALDH1A1 (0.48) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL4454228 0.88 ALDH1A1 (0.54) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL4454236 0.88 ALDH1A1 (0.54) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL4447346 0.79 ALDH1A1 (0.46) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL4447350 0.79 ALDH1A1 (0.46) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL4446586 0.78 TNFRSF1A (0.46) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL4446583 0.78 TNFRSF1A (0.46) ALDH1A1GAAPKMLMNAMEN1
SCHEMBL14025283 0.78 RXFP1 (0.51) ALDH1A1GAAPKMLMNAMEN1

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-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I ALDH1A1 2335/4885GAA 966/4885PKM 4064/4885

“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.