SCHEMBL5508682

SCHEMBL5508682

CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.67
PTPN11 Q06124 1/20 0.67
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
MMP13 P45452 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
PSMD14 O00487 1/20 0.51
MMP2 P08253 1/20 0.51

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
SCHEMBL11457930 0.92 MEN1 (0.61) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL3900126 0.87 KMT2A (0.57) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL5504372 0.87 PTPN1 (0.76) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL3904837 0.86 PTPN1 (0.67) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL22531834 0.86 MAPT (0.69) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL14985198 0.85 PTPN1 (0.73) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL5511609 0.83 PTPN1 (0.62) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL5503365 0.82 KMT2A (0.62) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL3897213 0.82 MEN1 (0.72) PTPN1PTPN11MEN1KMT2AMAPT
SCHEMBL25193179 0.82 MAPT (0.62) PTPN1PTPN11MEN1KMT2AMAPT

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 PTPN1 3611/4885PTPN11 3410/4885MEN1 3680/4885

“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.