SCHEMBL3520906

SCHEMBL3520906

O=C(O)c1cc(-c2cccs2)[nH]n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 1.00
MEN1 O00255 6/20 1.00
L3MBTL1 Q9Y468 1/20 0.69
MAPT P10636 6/20 0.54
KDM4E B2RXH2 3/20 0.54
USP2 O75604 1/20 0.54
NPC1 O15118 1/20 0.54
PABPC1 P11940 1/20 0.54
MAPK1 P28482 1/20 0.54
EIF4H Q15056 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 4/20 0.51
NFKB1 P19838 1/20 0.51
AHR P35869 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KDM5B Q9UGL1 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL21790277 0.86 KMT2A (0.75) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL13692368 0.86 KMT2A (0.75) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL13687457 0.82 KMT2A (0.69) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL27420066 0.82 KMT2A (0.71) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL31088347 0.82 KMT2A (1.00) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL26450013 0.79 KMT2A (0.66) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL9911646 0.78 KMT2A (0.63) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL69492 0.74 MEN1 (0.58) KMT2AMEN1MAPTNPC1POLB
SCHEMBL1665919 0.74 ADORA3 (0.62) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440831 0.74 KDM4E (0.60) KMT2AMEN1L3MBTL1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 US claimed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP claimed
CN-101309922-A Amino-aza-adamantane derivatives and methods of use ABBOTT LAB (US) 2008-11-19 CN claimed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP claimed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
US-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 US disclosed
CN-102816165-A Amino-aza-adamantane derivatives and methods of use ABBOTT LAB 2012-12-12 CN disclosed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP disclosed
CN-101910170-A (1,4-diazabicyclo [3.2.2] ninth of the ten Heavenly Stems-6-alkene-4-yl)-heterocyclic radical-ketone part that is used for the treatment of the nicotinic acetylcholine receptor of disease MEMORY PHARM CORP 2010-12-08 CN disclosed
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
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO disclosed
CN-101309922-A Amino-aza-adamantane derivatives and methods of use ABBOTT LAB (US) 2008-11-19 CN disclosed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP disclosed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 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 (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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 KMT2A 1996/4885MEN1 2888/4885L3MBTL1 3923/4885
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 KMT2A 3050/4885MEN1 2161/4885L3MBTL1 3160/4885

“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.