SCHEMBL4394913

SCHEMBL4394913

O=C(NNC(=S)NCCCN1CCOCC1)c1ccc(NC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
GAA P10253 4/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
LMNA P02545 3/20 0.57
NAMPT P43490 2/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.51

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
SCHEMBL4386480 0.91 GAA (0.68) ALDH1A1CYP3A4CYP2D6CYP2C19GAA
SCHEMBL13878303 0.89 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2D6CYP2C19GAA
SCHEMBL4392484 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2D6CYP2C19GAA
SCHEMBL4383009 0.85 BCL3 (0.66) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL4389852 0.80 MCHR1 (0.56) ALDH1A1CYP3A4CYP2D6CYP2C19GAA
SCHEMBL4039320 0.80 CHRNA7 (0.55) ALDH1A1GAALMNANAMPTEPHX2
SCHEMBL4246988 0.78 GAA (0.63) ALDH1A1GAASMN1; SMN2LMNANAMPT
SCHEMBL4245219 0.77 HTR3A (0.57) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL14370006 0.77 LMNA (0.57) ALDH1A1CYP3A4CYP2D6CYP2C19GAA
SCHEMBL19380611 0.76 GAA (0.68) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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 780/4885CYP3A4 376/4885CYP2D6 685/4885

“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.