SCHEMBL559230

SCHEMBL559230

SC(S)=Nc1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 12/20 0.51
HPGD P15428 2/20 0.51
TNF P01375 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.46
STAT6 P42226 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.45
POLB P06746 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
SCHEMBL11236137 0.81 RAB9A (0.58) RAB9ASMN1; SMN2NPC1HPGDTNF
SCHEMBL31314989 0.78 RAB9A (0.52) RAB9ASMN1; SMN2NPC1HPGDTNF
SCHEMBL1233047 0.78 RAB9A (0.52) RAB9ASMN1; SMN2NPC1HPGDTNF
SCHEMBL559481 0.77 LMNA (0.53) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL559070 0.77 RAB9A (0.50) RAB9ASMN1; SMN2NPC1HPGDTNF
SCHEMBL558192 0.76 KDM4E (0.50) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL6414795 0.75 RAB9A (0.48) RAB9ASMN1; SMN2NPC1HPGDTNF
SCHEMBL8491156 0.73 RAB9A (0.49) RAB9ASMN1; SMN2NPC1HPGDTNF
SCHEMBL557873 0.73 APP (0.53) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL3071075 0.70 RAB9A (0.47) RAB9ASMN1; SMN2NPC1HPGDTNF

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
EP-2493892-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO disclosed
EP-2271650-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2011-01-12 EP disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 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 (10 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 RAB9A 1688/4885SMN1; SMN2 4315/4885NPC1 114/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885SMN1; SMN2 813/4885NPC1 896/4885

“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.