SCHEMBL4032812

SCHEMBL4032812

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
PTPRC P08575 2/20 0.51
CTSL P07711 1/20 0.51
PTPN1 P18031 1/20 0.51
CTSS P25774 1/20 0.51
PTPN13 Q12923 1/20 0.51
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 4/20 0.49
CHRNA7 P36544 2/20 0.49
KCNH2 Q12809 2/20 0.49
TP53 P04637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CHRNA1 P02708 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
SCHEMBL4239227 0.90 NPC1 (0.51) RAB9ANPC1KMT2AMEN1PTPRC
SCHEMBL4242129 0.89 CHRNA7 (0.52) RAB9ANPC1KMT2AMEN1PTPRC
SCHEMBL4251628 0.89 CHRNA7 (0.53) RAB9ANPC1KMT2AMEN1PTPRC
SCHEMBL4250930 0.88 KMT2A (0.54) RAB9ANPC1KMT2AMEN1PTPRC
SCHEMBL4241019 0.88 MEN1 (0.67) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4034107 0.85 MEN1 (0.70) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL13878309 0.77 CHRNA7 (0.57) RAB9ANPC1KMT2AMEN1PTPRC
SCHEMBL4247020 0.76 ALDH1A1 (0.49) NPC1PTPN1SMN1; SMN2HPGDKDM4E
SCHEMBL4242132 0.74 MEN1 (0.67) RAB9ANPC1KMT2AMEN1
SCHEMBL4246473 0.74 MEN1 (0.64) RAB9ANPC1KMT2AMEN1MAPT

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 3 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
EP-2021331-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-02-11 EP 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 RAB9A 2045/4885NPC1 1641/4885KMT2A 2842/4885

“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.