SCHEMBL4242005

SCHEMBL4242005

COc1cc(NC(=O)C2CCCC2)ccc1C(=O)NN

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
RAB9A P51151 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL4242042 0.99 GRM4 (0.61) GRM4POLBMEN1KMT2AALOX15
SCHEMBL4249816 0.95 POLB (0.58) GRM4POLBMEN1KMT2AALOX15
SCHEMBL4244832 0.86 POLB (0.63) GRM4POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4238232 0.85 POLB (0.62) GRM4POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4242416 0.80 POLB (0.62) GRM4POLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL8901878 0.80 POLB (0.62) GRM4POLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL4396338 0.80 GRM4 (0.56) GRM4MEN1KMT2AALOX15SMN1; SMN2
SCHEMBL4387680 0.80 PTPN1 (0.52) SMN1; SMN2ALDH1A1NPSR1PTPN1
SCHEMBL4285916 0.79 ADORA2A (0.64) GRM4POLBMEN1KMT2AALOX15
SCHEMBL30870166 0.79 POLB (0.64) GRM4POLBSMN1; SMN2ALDH1A1TSHR

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 GRM4 91/4885POLB 3367/4885MEN1 4763/4885

“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.