SCHEMBL4035950

SCHEMBL4035950

CCOc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
MAPT P10636 4/20 0.45
POLB P06746 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.42
TBXA2R P21731 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL15741815 0.87 RAB9A (0.53) ALOX5MAPTTDP1SMN1; SMN2RAB9A
SCHEMBL16423294 0.83 MAPT (0.50) MAPTPOLBMAPK1TDP1SMN1; SMN2
SCHEMBL3032629 0.81 ALOX5 (0.50) ALOX5MAPTPOLBSMN1; SMN2RAB9A
SCHEMBL4036366 0.80 MAPT (0.52) MAPTPOLBMAPK1TDP1SMN1; SMN2
SCHEMBL1185312 0.76 TDP1 (0.57) MAPTPOLBMAPK1TDP1SMN1; SMN2
SCHEMBL97838 0.76 MAPT (0.55) MAPTPOLBMAPK1TDP1SMN1; SMN2
SCHEMBL6676086 0.76 NPBWR1 (0.54) ALOX5MAPTPOLBSMN1; SMN2RAB9A
SCHEMBL15304420 0.76 MAPT (0.43) ALOX5MAPTTDP1SMN1; SMN2RAB9A
SCHEMBL15304421 0.75 ALDH1A1 (0.43) ALOX5MAPTPOLBSMN1; SMN2RAB9A
SCHEMBL6816134 0.75 MEN1 (0.63) ALOX5MAPTPOLBKMT2AMEN1

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 ALOX5 1056/4885MAPT 659/4885POLB 3367/4885

“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.