SCHEMBL10219940

SCHEMBL10219940

COc1ccc(-c2csc(C(C)C)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.63
RAB9A P51151 10/20 0.63
MAPT P10636 8/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
ALDH1A1 P00352 5/20 0.63
POLB P06746 3/20 0.63
KDM4E B2RXH2 3/20 0.55
ATM Q13315 1/20 0.55
PTGS2 P35354 1/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
CYP19A1 P11511 1/20 0.54
LTA4H P09960 1/20 0.54
ATP4A P20648 2/20 0.52
ATP4B P51164 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 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
SCHEMBL19626776 0.83 LTA4H (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13341100 0.83 RAB9A (0.65) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12515839 0.83 RAB9A (0.73) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22824711 0.81 MAPT (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2609421 0.81 RAB9A (0.53) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2142653 0.80 MAPT (0.55) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13341099 0.80 MEN1 (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2222772 0.79 ATP4A (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10052165 0.79 KMT2A (0.58) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2513271 0.79 RAB9A (0.58) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167263-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2019-01-01 US disclosed
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY (US) 2017-12-07 US disclosed
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY (US) 2017-12-07 US disclosed
US-9809556-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2017-11-07 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY 2016-01-21 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-9145424-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2015-09-29 US 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-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20110237907-A1 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-20110237907-A1 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US 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-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
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 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 (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 NPC1 896/4885RAB9A 333/4885MAPT 268/4885
US-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN NPC1 298/4885RAB9A 1816/4885MAPT 16/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPT 268/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPT 268/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPT 268/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPT 268/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPT 268/4885
US-10167263-B2 Treatment of amyotrophic lateral sclerosis SMN1; SMN2, SOD1, NLN NPC1 298/4885RAB9A 1816/4885MAPT 16/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885MAPT 268/4885
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN NPC1 298/4885RAB9A 1816/4885MAPT 16/4885

“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.