SCHEMBL5512059

SCHEMBL5512059

CCNC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
PTPN1 P18031 3/20 0.47
PTPN11 Q06124 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GHSR Q92847 1/20 0.44
RORC P51449 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
PSMD14 O00487 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
SCHEMBL3900126 0.83 KMT2A (0.57) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL5510635 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL11457930 0.81 MEN1 (0.61) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL5509037 0.80 MAPT (0.56) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL3896317 0.78 ALDH1A1 (0.60) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL9613179 0.77 ALDH1A1 (0.68) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL23560422 0.76 MTNR1B (0.57) ALDH1A1MAPTGHSRMEN1KMT2A
SCHEMBL1772679 0.76 ALDH1A1 (0.84) ALDH1A1HPGDPTPN1PTPN11KDM4E
SCHEMBL4047306 0.76 RAB9A (0.44) PIK3CAMTORPIK3CGABCB1NPC1
SCHEMBL4874209 0.76 ALDH1A1 (0.54) ALDH1A1HPGDPTPN1PTPN11MAPT

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-20070203117-A1 modulators of nicotinic and/or of monoamine receptors; as diagnostic tools or monitoring agents; for in vivo neuroimaging in labeled/unlabelled forms; inflammation, pain, neurodegenerative disorders; cholinergic ligands;5-(4-Benzoylamino-phenyl)-furan-2-carboxylic acid(1-aza-bicyclo[2.2.2]oct-3-yl)-amide NEUROSEARCH A/S (DK) 2007-08-30 US claimed
EP-1751150-A2 NOVEL AZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2007-02-14 EP claimed
WO-2005111033-A2 NOVEL AZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-24 WO claimed
US-20070203117-A1 modulators of nicotinic and/or of monoamine receptors; as diagnostic tools or monitoring agents; for in vivo neuroimaging in labeled/unlabelled forms; inflammation, pain, neurodegenerative disorders; cholinergic ligands;5-(4-Benzoylamino-phenyl)-furan-2-carboxylic acid(1-aza-bicyclo[2.2.2]oct-3-yl)-amide NEUROSEARCH A/S (DK) 2007-08-30 US disclosed
EP-1751150-A2 NOVEL AZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2007-02-14 EP disclosed
WO-2005111033-A2 NOVEL AZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-24 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-20070203117-A1 modulators of nicotinic and/or of monoamine receptors; as diagnostic tools or monitoring agents; for in vivo neuroimaging in labeled/unlabelled forms; inflammation, pain, neurodegenerative disorders; cholinergic ligands;5-(4-Benzoylamino-phenyl)-furan-2-carboxylic acid(1-aza-bicyclo[2.2.2]oct-3-yl)-amide CHRNA5, CHRNA2, CHRNA6 ALDH1A1 923/4885HPGD 653/4885PTPN1 3611/4885

“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.