SCHEMBL4247067

SCHEMBL4247067

O=C(Nc1ccc(-c2nnc(SCc3ccccc3)o2)c(C(F)(F)F)c1)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.56
KCNH2 Q12809 3/20 0.56
EGFR P00533 4/20 0.53
HPGD P15428 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.49
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CPB1 P15086 2/20 0.43
MEN1 O00255 1/20 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
SCHEMBL4033527 0.90 EGFR (0.60) CHRNA7KCNH2EGFRHPGDMAPT
SCHEMBL4238972 0.89 HPGD (0.64) EGFRHPGDMAPTALDH1A1KDM4E
SCHEMBL4245363 0.87 CHRNA7 (0.55) CHRNA7KCNH2EGFRHPGDMAPT
SCHEMBL4246365 0.86 CHRNA7 (0.55) CHRNA7KCNH2EGFRHPGDMAPT
SCHEMBL4251580 0.85 EGFR (0.57) CHRNA7KCNH2EGFRHPGDMAPT
SCHEMBL4033854 0.83 NPC1 (0.58) CHRNA7KCNH2EGFRHPGDMAPT
SCHEMBL13878330 0.81 CHRNA7 (0.55) CHRNA7KCNH2MAPTKDM4EKMT2A
SCHEMBL13878315 0.81 CHRNA7 (0.60) CHRNA7KCNH2HPGDMAPTALDH1A1
SCHEMBL4244936 0.81 HPGD (0.48) CHRNA7KCNH2EGFRHPGDMAPT
SCHEMBL4247699 0.80 HPGD (0.67) CHRNA7KCNH2EGFRHPGDMAPT

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
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

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 815/4885EGFR 2607/4885

“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.