SCHEMBL4239227

SCHEMBL4239227

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.51
CHRNA7 P36544 2/20 0.51
KCNH2 Q12809 2/20 0.51
GRM4 Q14833 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.48
PTPRC P08575 2/20 0.48
CTSL P07711 1/20 0.48
PTPN1 P18031 1/20 0.48
CTSS P25774 1/20 0.48
PTPN13 Q12923 1/20 0.48
PNLIP P16233 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL4032812 0.90 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4251628 0.86 CHRNA7 (0.53) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4242129 0.86 CHRNA7 (0.52) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4250930 0.85 KMT2A (0.54) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4242132 0.85 MEN1 (0.67) NPC1RAB9AGRM4MEN1KMT2A
SCHEMBL4034107 0.82 MEN1 (0.70) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL13878319 0.79 CHRNA7 (0.59) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4241019 0.78 MEN1 (0.67) NPC1RAB9AMAPTHPGDCHRNA7
SCHEMBL4251978 0.74 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4249127 0.74 HPGD (0.49) NPC1SMN1; SMN2HPGDGRM4MEN1

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 NPC1 1641/4885RAB9A 2045/4885SMN1; SMN2 1002/4885

“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.