SCHEMBL4479801

SCHEMBL4479801

COC(=O)Nc1ncc(Br)s1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ RAB9A P51151 2/20 0.51
▸ CCNE1 P24864 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ FBP1 P09467 9/20 0.49
▸ FFAR2 O15552 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ FPR2 P25090 1/20 0.45

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
SCHEMBL13039 0.83 FPR3 (0.54) SMN1; SMN2MAPK10RAB9ACCNE1CDK2
SCHEMBL1749806 0.81 SMN1; SMN2 (0.59) SMN1; SMN2MAPK10RAB9ACCNE1CDK2
Ammonia Solution, Strong SCHEMBL27883952 0.80 SMN1; SMN2 (0.58) SMN1; SMN2MAPK10RAB9ACCNE1CDK2
SCHEMBL15943684 0.80 RAB9A (0.57) SMN1; SMN2MAPK10RAB9ANPC1PKM
SCHEMBL6729 0.79 CCNE1 (0.59) SMN1; SMN2MAPK10RAB9ACCNE1CDK2
SCHEMBL29353713 0.79 SMN1; SMN2 (0.64) SMN1; SMN2MAPK10RAB9ANPC1MAPK1
SCHEMBL28830687 0.79 FPR3 (0.47) SMN1; SMN2MAPK10RAB9ACCNE1CDK2
SCHEMBL14476229 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MAPK10RAB9ACCNE1CDK2
SCHEMBL13499905 0.78 CCNE1 (0.65) SMN1; SMN2MAPK10RAB9ACCNE1CDK2
SCHEMBL17353987 0.77 SMN1; SMN2 (0.72) SMN1; SMN2MAPK10RAB9ACCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 — — US disclosed
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 — — US disclosed
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 — — US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 — — US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 — — US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 — — US disclosed
US-20060154945-A1 Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-07-13 — — US disclosed
EP-1654264-A1 SPIRO [1-AZABICYCLO [2.2.2]OCTANE-3,5'-OXAZOLIDIN-2'-ONE] DERIVATIVES WITH AFFINITY TO THE ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2006-05-10 — — EP disclosed
WO-2005005435-A1 SPIRO ′1-AZABICYCLO ′2.2.2!OCTAN-3,5′-OXAZOLIDIN -2′-ONE! DERIVATIVES WITH AFFINITY TO THE ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-01-20 — — 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 (2 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-20060154945-A1 Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor CHRNA1, CHRNA7, ADRA1D SMN1; SMN2 1710/4885MAPK10 3451/4885RAB9A 2444/4885
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 SMN1; SMN2 1210/4885MAPK10 3272/4885RAB9A 1451/4885

“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.

Send feedback