SCHEMBL4386480

SCHEMBL4386480

O=C(NNC(=S)NCCCN1CCOCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.68
LMNA P02545 6/20 0.63
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.62
EPHX2 P34913 1/20 0.61
KDM4E B2RXH2 1/20 0.61
KMT2A Q03164 1/20 0.61
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
NAMPT P43490 1/20 0.58
RECQL P46063 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
ATM Q13315 1/20 0.55
CD274 Q9NZQ7 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL4394913 0.91 ALDH1A1 (0.63) GAALMNAALDH1A1SMN1; SMN2EPHX2
SCHEMBL13878303 0.89 ALDH1A1 (0.64) GAALMNAALDH1A1SMN1; SMN2EPHX2
SCHEMBL4383009 0.88 BCL3 (0.66) GAALMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4389852 0.86 MCHR1 (0.56) GAALMNAALDH1A1SMN1; SMN2EPHX2
SCHEMBL14370006 0.85 LMNA (0.57) GAALMNAALDH1A1SMN1; SMN2EPHX2
SCHEMBL4246988 0.83 GAA (0.63) GAALMNAALDH1A1SMN1; SMN2EPHX2
SCHEMBL4039320 0.78 CHRNA7 (0.55) GAALMNAALDH1A1EPHX2NAMPT
SCHEMBL4247359 0.78 CHRNA7 (0.56) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4245219 0.78 HTR3A (0.57) GAAALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL17142767 0.78 EPHX2 (0.58) LMNAEPHX2KMT2ANPC1RAB9A

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 GAA 1551/4885LMNA 3692/4885ALDH1A1 780/4885

“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.