SCHEMBL4247359

SCHEMBL4247359

O=C(NNC(=S)NCCCN1CCCCC1)c1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.56
KCNH2 Q12809 11/20 0.56
BCL3 P20749 2/20 0.52
NAMPT P43490 2/20 0.52
HTR3A P46098 1/20 0.50
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AVPR2 P30518 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
SCHEMBL4242691 0.97 CHRNA7 (0.56) CHRNA7KCNH2BCL3NAMPTHTR3A
SCHEMBL4238226 0.96 CHRNA7 (0.56) CHRNA7KCNH2BCL3NAMPTHTR3A
SCHEMBL4383009 0.91 BCL3 (0.66) CHRNA7KCNH2BCL3NAMPTGAA
SCHEMBL4031580 0.90 CHRNA7 (0.57) CHRNA7KCNH2BCL3HTR3A
SCHEMBL4039320 0.90 CHRNA7 (0.55) CHRNA7KCNH2NAMPTHTR3AGAA
SCHEMBL4241933 0.88 CHRNA7 (0.58) CHRNA7KCNH2BCL3AVPR2
SCHEMBL4239354 0.88 CHRNA7 (0.55) CHRNA7KCNH2BCL3NAMPTGAA
SCHEMBL4241899 0.87 CHRNA7 (0.58) CHRNA7KCNH2BCL3GAANPC1
SCHEMBL4238961 0.86 CHRNA7 (0.57) CHRNA7KCNH2BCL3GAAALDH1A1
SCHEMBL4242711 0.86 CHRNA7 (0.58) CHRNA7KCNH2BCL3

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 CHRNA7 1/4885KCNH2 815/4885BCL3 4398/4885

“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.