SCHEMBL4249899

SCHEMBL4249899

O=C(Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
KDM4E B2RXH2 4/20 0.69
HPGD P15428 3/20 0.69
MAPT P10636 2/20 0.69
HDAC1 Q13547 1/20 0.66
NPC1 O15118 3/20 0.64
EGFR P00533 2/20 0.64
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
GSK3B P49841 4/20 0.58
GSK3A P49840 3/20 0.58
RAB9A P51151 2/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTPN1 P18031 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PKM P14618 1/20 0.56
AURKA O14965 1/20 0.55

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
SCHEMBL4033854 0.86 NPC1 (0.58) ALDH1A1KDM4EHPGDMAPTHDAC1
SCHEMBL4247100 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDMAPTHDAC1
SCHEMBL4247699 0.83 HPGD (0.67) ALDH1A1KDM4EHPGDMAPTHDAC1
SCHEMBL8770855 0.82 NPC1 (0.74) ALDH1A1KDM4EHPGDNPC1POLB
SCHEMBL4242418 0.81 HPGD (0.65) ALDH1A1KDM4EHPGDMAPTHDAC1
SCHEMBL4241857 0.81 HPGD (0.58) ALDH1A1KDM4EHPGDNPC1EGFR
SCHEMBL4238972 0.80 HPGD (0.64) ALDH1A1KDM4EHPGDMAPTHDAC1
SCHEMBL16157074 0.79 EGFR (0.94) ALDH1A1HPGDNPC1EGFRPOLB
SCHEMBL928258 0.79 EGFR (1.00) ALDH1A1HPGDNPC1EGFRPOLB
SCHEMBL1063623 0.79 HDAC1 (1.00) ALDH1A1KDM4EHPGDMAPTHDAC1

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 4 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
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 ALDH1A1 780/4885KDM4E 3074/4885HPGD 1075/4885

“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.