SCHEMBL4387680

SCHEMBL4387680

NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL4396338 0.84 GRM4 (0.56) PTPN1NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4238203 0.84 PTPN1 (0.49) PTPN1NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1749832 0.83 HPGD (0.54) PTPN1CASP3SENP8SENP7SENP6
SCHEMBL4238900 0.82 CASP3 (0.55) PTPN1CASP3SENP8SENP7SENP6
SCHEMBL4242042 0.81 GRM4 (0.61) PTPN1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL4242005 0.80 GRM4 (0.59) PTPN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL24746420 0.78 SMN1; SMN2 (0.59) PTPN1NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL30976769 0.78 HPGD (0.58) PTPN1CASP3NPC1ALDH1A1SMN1; SMN2
SCHEMBL2241850 0.78 ALDH1A1 (0.60) PTPN1NPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL23981743 0.77 KMT2A (0.55) CASP3SENP7NPC1ALDH1A1SMN1; SMN2

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 PTPN1 2504/4885CASP3 3146/4885SENP8 4366/4885

“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.