SCHEMBL5510786

SCHEMBL5510786

O=C(Nc1ccc(-c2ccc(C(=O)O)o2)cc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.69
KMT2A Q03164 11/20 0.69
NPC1 O15118 6/20 0.69
MAPT P10636 8/20 0.63
ALDH1A1 P00352 5/20 0.63
POLB P06746 2/20 0.63
THRB P10828 1/20 0.63
LMNA P02545 5/20 0.57
RAB9A P51151 4/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MYOC Q99972 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
STAT1 P42224 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL1317292 0.89 KMT2A (0.66) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL3897213 0.89 MEN1 (0.72) MEN1KMT2ANPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL3452251 0.87 KMT2A (0.64) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL5510635 0.83 ALDH1A1 (0.68) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL3900126 0.81 KMT2A (0.57) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL5509037 0.81 MAPT (0.56) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL6302417 0.80 MEN1 (0.89) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL6302157 0.78 MEN1 (1.00) MEN1KMT2ANPC1MAPTPOLB
SCHEMBL1177730 0.78 MEN1 (1.00) MEN1KMT2ANPC1MAPTPOLB
SCHEMBL2026125 0.76 MAPT (0.65) MEN1KMT2ANPC1MAPTALDH1A1

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 MEN1 3680/4885KMT2A 2233/4885NPC1 2755/4885

“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.