SCHEMBL4002648

SCHEMBL4002648

S=C=NCCCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
NAAA Q02083 2/20 0.49
MAPT P10636 2/20 0.44
MIF P14174 1/20 0.42
TRPA1 O75762 6/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL3997328 0.98 HRH3 (0.50) HRH3NAAAMAPTMIFTRPA1
SCHEMBL3997403 0.94 HRH3 (0.50) HRH3NAAAMAPTMIFTRPA1
SCHEMBL31528856 0.92 HRH3 (0.46) HRH3NAAAMAPTMIFTRPA1
SCHEMBL1268595 0.85 LMNA (0.47) HRH3NAAAMAPTTRPA1LMNA
SCHEMBL1269251 0.83 LMNA (0.43) HRH3NAAAMAPTMIFTRPA1
SCHEMBL4002577 0.81 KEAP1 (0.47) NAAAMAPTMIFTRPA1CYP1A2
SCHEMBL11727202 0.80 HRH3 (0.54) HRH3MAPTLMNACYP1A2MAPK1
SCHEMBL4034603 0.79 NAAA (0.56) HRH3NAAAMIFTRPA1LMNA
SCHEMBL13891354 0.77 HRH3 (0.61) HRH3MAPTLMNACYP1A2MAPK1
SCHEMBL6604869 0.76 TRPA1 (0.45) NAAAMIFTRPA1LMNAKEAP1

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
WO-2009071576-A1 5-ARYL-1,3,4-OXADIAZOLE-2-AMINES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2009-06-11 WO 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

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 HRH3 231/4885NAAA 1716/4885MAPT 659/4885

“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.