SCHEMBL4033854

SCHEMBL4033854

O=C(Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
EGFR P00533 3/20 0.57
HDAC1 Q13547 1/20 0.55
POLB P06746 1/20 0.55
CHRNA7 P36544 4/20 0.54
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
KCNH2 Q12809 2/20 0.52
HPGD P15428 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52

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 0.87 EGFR (0.60) NPC1EGFRCHRNA7RAB9AALDH1A1
SCHEMBL4249899 0.86 ALDH1A1 (0.69) NPC1EGFRHDAC1POLBRAB9A
SCHEMBL4245363 0.84 CHRNA7 (0.55) NPC1EGFRCHRNA7RAB9AALDH1A1
SCHEMBL4246365 0.84 CHRNA7 (0.55) NPC1EGFRCHRNA7RAB9AALDH1A1
SCHEMBL24473959 0.83 SMO (0.72) NPC1POLBCHRNA7RAB9AALDH1A1
SCHEMBL30587154 0.83 SMO (0.72) NPC1POLBCHRNA7RAB9AALDH1A1
SCHEMBL4247067 0.83 CHRNA7 (0.56) NPC1EGFRHDAC1CHRNA7RAB9A
SCHEMBL4251580 0.82 EGFR (0.57) NPC1EGFRCHRNA7RAB9AALDH1A1
SCHEMBL4241242 0.78 CHRNA7 (0.53) CHRNA7ALDH1A1L3MBTL1KCNH2SMO
SCHEMBL13878308 0.78 MEN1 (0.60) CHRNA7RAB9AALDH1A1L3MBTL1TP53

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 6 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
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
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 NPC1 1641/4885EGFR 2607/4885HDAC1 592/4885

“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.