SCHEMBL10220185

SCHEMBL10220185

CC(C)(C)c1cc(-c2cccs2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 3/20 0.52
NFKB1 P19838 1/20 0.52
AHR P35869 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
APP P05067 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.46
FLT3 P36888 1/20 0.42
TSHR P16473 1/20 0.41
CCNB2 O95067 1/20 0.40

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
SCHEMBL12980199 0.83 SMN1; SMN2 (0.54) KMT2AMEN1MAPTNFKB1AHR
Hydrochloric Acid SCHEMBL3499049 0.78 ADORA3 (0.48) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL15088445 0.77 KMT2A (0.57) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL2875439 0.77 KMT2A (0.57) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL7203746 0.76 KMT2A (0.56) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL1665919 0.75 ADORA3 (0.62) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL22535527 0.73 KMT2A (0.53) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL10271770 0.73 KMT2A (0.55) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL12038433 0.73 APP (0.59) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL26450013 0.71 KMT2A (0.66) KMT2AMEN1MAPTNFKB1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-27 US disclosed
US-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-27 US disclosed
US-20230133119-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-05-04 US disclosed
US-20230133119-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-05-04 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-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 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-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
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS AR, SHBG, NR5A1 KMT2A 905/4885MEN1 2336/4885MAPT 2563/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20230133119-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS AR, SHBG, NR5A1 KMT2A 882/4885MEN1 2382/4885MAPT 2620/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885

“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.