SCHEMBL4036366

SCHEMBL4036366

CCOc1cc([N+](=O)[O-])ccc1C(=O)NN

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
POLB P06746 4/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL22660904 0.86 MAPT (0.57) MAPTPOLBMAPK1TDP1KDM4E
SCHEMBL15741848 0.86 HTT (0.58) MAPTTDP1KDM4ESMN1; SMN2KMT2A
SCHEMBL1185312 0.84 TDP1 (0.57) MAPTPOLBMAPK1TDP1KDM4E
SCHEMBL97838 0.84 MAPT (0.55) MAPTPOLBMAPK1TDP1KDM4E
SCHEMBL3998504 0.82 SMN1; SMN2 (0.62) MAPTPOLBMAPK1TDP1KDM4E
SCHEMBL1185861 0.80 MCHR1 (0.56) MAPTPOLBMAPK1TDP1KDM4E
SCHEMBL4035950 0.80 ALOX5 (0.47) MAPTPOLBMAPK1TDP1KDM4E
SCHEMBL11712268 0.80 MAPT (0.51) MAPTPOLBMAPK1TDP1KDM4E
SCHEMBL895626 0.79 ALDH1A1 (0.53) MAPTMAPK1TDP1KDM4ESMN1; SMN2
SCHEMBL1185933 0.79 NPC1 (0.45) MAPTPOLBMAPK1TDP1KDM4E

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 MAPT 659/4885POLB 3367/4885MAPK1 1809/4885

“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.