SCHEMBL4238232

SCHEMBL4238232

COC(=O)c1ccc(NC(=O)C2CCCCC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
GRM4 Q14833 1/20 0.61
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PTPN1 P18031 1/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL4244832 0.99 POLB (0.63) POLBGRM4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4242416 0.93 POLB (0.62) POLBGRM4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4242042 0.86 GRM4 (0.61) POLBGRM4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4242005 0.85 GRM4 (0.59) POLBGRM4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4238900 0.84 CASP3 (0.55) POLBGRM4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4246881 0.84 GRM4 (0.58) POLBGRM4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL28500867 0.84 POLB (0.64) POLBGRM4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL30870166 0.84 POLB (0.64) POLBGRM4ALDH1A1SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL31184807 0.83 POLB (0.63) POLBGRM4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL8901878 0.82 POLB (0.62) POLBGRM4ALDH1A1SMN1; SMN2NPSR1

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.