SCHEMBL4036016

SCHEMBL4036016

CCc1cc(NC(=O)c2ccccc2F)ccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
MAPT P10636 4/20 0.58
TP53 P04637 3/20 0.58
LMNA P02545 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
F2R P25116 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTPRC P08575 2/20 0.53
HTT P42858 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
CTSL P07711 1/20 0.53

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
SCHEMBL4039307 0.88 MEN1 (0.59) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL13878276 0.87 ALDH1A1 (0.62) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL13878274 0.85 RAB9A (0.65) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL18083775 0.84 MEN1 (0.60) KMT2AMEN1TDP1NPC1RAB9A
Formic Acid SCHEMBL27773035 0.84 MEN1 (0.54) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL4031225 0.80 RAB9A (0.48) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL4031223 0.79 NPC1 (0.52) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL24934209 0.78 F2R (0.67) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL27315886 0.78 KMT2A (0.64) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL5239511 0.77 GRM4 (0.57) NPC1RAB9ASMN1; SMN2MAPTTP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495465-A 2-phenyl-5-amino-1,3,4-oxadiazoles and their use as nicotinic acetylcholine receptor ligands GLAXO GROUP LTD (GB) 2009-07-29 CN 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
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 KMT2A 2842/4885MEN1 4763/4885TDP1 1486/4885

“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.