SCHEMBL4396338

SCHEMBL4396338

NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.56
HPGD P15428 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
PTPN1 P18031 1/20 0.52
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
NPY2R P49146 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 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
SCHEMBL4387680 0.84 PTPN1 (0.52) HPGDALDH1A1SMN1; SMN2PTPN1KDM4E
SCHEMBL1749152 0.83 HPGD (0.58) GRM4HPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL2239611 0.82 HPGD (0.64) GRM4HPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL4246881 0.82 GRM4 (0.58) GRM4HPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL4238203 0.81 PTPN1 (0.49) HPGDALDH1A1SMN1; SMN2KMT2APTPN1
SCHEMBL4242042 0.81 GRM4 (0.61) GRM4HPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL4242005 0.80 GRM4 (0.59) GRM4ALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL4096062 0.78 PTPN1 (0.58) GRM4HPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL4383347 0.77 PTPN1 (0.66) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2492827 0.77 HPGD (0.56) GRM4HPGDALDH1A1TSHRSMN1; 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 GRM4 91/4885HPGD 1075/4885ALDH1A1 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.