SCHEMBL558529

SCHEMBL558529

CC(C)(C)[Si](C)(C)Oc1ccc2nc(N)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 1/20 0.63
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 3/20 0.58
HSD17B10 Q99714 3/20 0.58
SCN4A P35499 3/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
PKM P14618 2/20 0.58
TSHR P16473 1/20 0.58
GMNN O75496 1/20 0.58
USP2 O75604 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL20855175 0.85 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL2055276 0.85 CA12 (0.46) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL30189879 0.84 KMT2A (0.60) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL19783157 0.84 KMT2A (0.60) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL31558330 0.84 TDP1 (0.56) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL10233638 0.81 CYP3A4 (0.61) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL25244908 0.81 KMT2A (0.43) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL29486946 0.81 KMT2A (0.43) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL15949963 0.80 TRPV1 (0.43) CYP3A4CYP1A2CYP2C19TP53HSD17B10
SCHEMBL15950117 0.79 CA1 (0.44) CYP3A4CYP1A2CYP2C19SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461709-B Substituted urea derivatives and their use in medicine 广东东阳光药业有限公司 2020-01-21 CN 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-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 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
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
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
EP-1981883-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 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 (8 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 CYP3A4 2815/4885CYP1A2 2027/4885CYP2C19 2920/4885
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 CYP3A4 1127/4885CYP1A2 627/4885CYP2C19 883/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP1A2 2027/4885CYP2C19 2920/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP1A2 2027/4885CYP2C19 2920/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP1A2 2027/4885CYP2C19 2920/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP1A2 2027/4885CYP2C19 2920/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP1A2 2027/4885CYP2C19 2920/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP1A2 2027/4885CYP2C19 2920/4885

“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.