SCHEMBL4242129

SCHEMBL4242129

O=C(Nc1ccc(-c2n[nH]c(=S)o2)c(C(F)(F)F)c1)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.52
KCNH2 Q12809 1/20 0.52
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PTPRC P08575 3/20 0.47
CTSL P07711 1/20 0.47
PTPN1 P18031 1/20 0.47
CTSS P25774 1/20 0.47
PTPN13 Q12923 1/20 0.47
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RXFP1 Q9HBX9 2/20 0.43

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
SCHEMBL4032812 0.89 RAB9A (0.54) CHRNA7KCNH2RAB9ANPC1KMT2A
SCHEMBL4246473 0.87 MEN1 (0.64) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL4239227 0.86 NPC1 (0.51) CHRNA7KCNH2RAB9ANPC1KMT2A
SCHEMBL4251628 0.84 CHRNA7 (0.53) CHRNA7KCNH2RAB9ANPC1KMT2A
SCHEMBL4250930 0.83 KMT2A (0.54) CHRNA7KCNH2RAB9ANPC1KMT2A
SCHEMBL4034107 0.81 MEN1 (0.70) CHRNA7RAB9ANPC1KMT2AMEN1
SCHEMBL13878315 0.80 CHRNA7 (0.60) CHRNA7KCNH2RAB9ANPC1KMT2A
SCHEMBL4241019 0.77 MEN1 (0.67) CHRNA7KCNH2RAB9ANPC1KMT2A
SCHEMBL4246510 0.76 ALDH1A1 (0.47) NPC1KMT2APTPN1HPGDSMN1; SMN2
SCHEMBL4247067 0.74 CHRNA7 (0.56) CHRNA7KCNH2RAB9ANPC1KMT2A

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 1 patent. 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

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 815/4885RAB9A 2045/4885

“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.