SCHEMBL3517442

SCHEMBL3517442

O=C(O)c1cc(-c2ccc3ccccc3c2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACMSD Q8TDX5 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HCAR2 Q8TDS4 3/20 0.45
ALPL P05186 1/20 0.45
NOTUM Q6P988 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CTRC Q99895 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPY5R Q15761 1/20 0.43
HCAR3 P49019 1/20 0.42
PTGER3 P43115 1/20 0.42
GRK6 P43250 1/20 0.42
ALOX5 P09917 1/20 0.42
DAO P14920 1/20 0.42

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
SCHEMBL69492 0.83 MEN1 (0.58) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL14501943 0.82 MAPT (0.50) CA12MEN1KMT2AMAPTALPL
SCHEMBL2460252 0.82 ALPL (0.60) CA12MEN1KMT2APOLBALPL
Hydrochloric Acid SCHEMBL1221862 0.82 MEN1 (0.57) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL70360 0.78 CA12 (0.53) CA12MEN1KMT2APOLBMAPT
SCHEMBL73351 0.78 MEN1 (0.53) CA12MEN1KMT2APOLBMAPT
SCHEMBL3682308 0.76 KMO (0.55) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL19996893 0.76 MEN1 (0.50) CA12MEN1KMT2APOLBMAPT
SCHEMBL1413865 0.76 ALPL (0.53) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413993 0.76 HCAR2 (0.55) MEN1KMT2APOLBMAPTHCAR2

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-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
EP-2212321-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE Memory Pharmaceuticals Corporation (US) 2010-08-04 EP disclosed
WO-2009055437-A9 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARM CORP (US) 2009-07-23 WO disclosed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 WO disclosed
US-7220764-B2 Such as 5-(2,4-dihydroxy-benzylidene)-3-(4-methoxy-phenyl)-2-thioxo-thiazolidin-4 -one; for treating/preventing hyperproliferative disease, autoimmune disease, inflammatory disease, or allergy THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-05-22 US disclosed
US-7220764-B2 Such as 5-(2,4-dihydroxy-benzylidene)-3-(4-methoxy-phenyl)-2-thioxo-thiazolidin-4 -one; for treating/preventing hyperproliferative disease, autoimmune disease, inflammatory disease, or allergy THE PENNSYLVANIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-05-22 US 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-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease CHRNA7, CHRNA6, CHRNA5 CA12 4828/4885MEN1 2161/4885KMT2A 3050/4885

“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.