SCHEMBL4244832

SCHEMBL4244832

COC(=O)c1ccc(NC(=O)C2CCCC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
GRM4 Q14833 1/20 0.60
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.51
PTPN1 P18031 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4238232 0.99 POLB (0.62) POLBGRM4ALDH1A1KDM4ENPSR1
SCHEMBL4242416 0.94 POLB (0.62) POLBGRM4ALDH1A1KDM4EHSD17B10
SCHEMBL4242005 0.86 GRM4 (0.59) POLBGRM4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL4242042 0.85 GRM4 (0.61) POLBGRM4ALDH1A1KDM4EHSD17B10
SCHEMBL8901878 0.83 POLB (0.62) POLBGRM4ALDH1A1KDM4ENPSR1
SCHEMBL4246881 0.83 GRM4 (0.58) POLBGRM4ALDH1A1KDM4ENPSR1
SCHEMBL4238900 0.83 CASP3 (0.55) POLBGRM4ALDH1A1KDM4ENPSR1
SCHEMBL28500867 0.82 POLB (0.64) POLBGRM4ALDH1A1KDM4ENPSR1
SCHEMBL30870166 0.82 POLB (0.64) POLBGRM4ALDH1A1KDM4ENPSR1
Hydrochloric Acid SCHEMBL31184807 0.81 POLB (0.63) POLBGRM4ALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 POLB 3367/4885GRM4 91/4885ALDH1A1 780/4885

“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.