SCHEMBL14344232

SCHEMBL14344232

COc1ccc2c(c1)nc(C)n2C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
TDP1 Q9NUW8 1/20 0.64
RAB9A P51151 6/20 0.63
ALDH1A1 P00352 5/20 0.63
NPC1 O15118 5/20 0.63
KDM4E B2RXH2 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TP53 P04637 2/20 0.63
GFER P55789 1/20 0.61
LMNA P02545 4/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
ACSS2 Q9NR19 1/20 0.54
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 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
SCHEMBL13035828 0.86 ALDH1A1 (0.56) MAPTTDP1RAB9AALDH1A1NPC1
SCHEMBL8109270 0.84 MAPT (0.67) MAPTTDP1RAB9AALDH1A1NPC1
SCHEMBL15000612 0.81 MAPT (0.63) MAPTTDP1RAB9AALDH1A1NPC1
SCHEMBL25443596 0.81 ALDH1A1 (0.55) MAPTTDP1RAB9AALDH1A1NPC1
SCHEMBL3965377 0.81 ALDH1A1 (0.55) MAPTTDP1RAB9AALDH1A1NPC1
SCHEMBL5456024 0.81 ALDH1A1 (0.57) MAPTTDP1RAB9AALDH1A1NPC1
SCHEMBL1104364 0.81 ALDH1A1 (0.55) MAPTTDP1RAB9AALDH1A1NPC1
SCHEMBL14344253 0.80 MAPT (0.61) MAPTTDP1RAB9AALDH1A1NPC1
SCHEMBL5069174 0.79 MAPT (0.60) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL15000609 0.79 MAPT (0.60) MAPTRAB9AALDH1A1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851446-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2023-12-26 US disclosed
EP-3197277-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-12-22 EP disclosed
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-09 US disclosed
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-09 US disclosed
CN-107105667-B Probes for imaging huntingtin CHDI基金会股份有限公司 2021-08-17 CN disclosed
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US disclosed
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US disclosed
EP-3197277-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-08-02 EP disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
WO-2016033440-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO disclosed
WO-2016033440-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO 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
CN-103080104-A N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein NOVARTIS AG 2013-05-01 CN disclosed
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides APSINTERM, LLC 2007-12-20 US disclosed
US-7256297-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM, LLC. (US) 2007-08-14 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 (9 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-11851446-B2 Probes for imaging Huntingtin protein HTT, HYPK, HSPBP1 MAPT 8/4885TDP1 540/4885RAB9A 1100/4885
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides STS, TST, CBS MAPT 2497/4885TDP1 4367/4885RAB9A 3304/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 MAPT 268/4885TDP1 689/4885RAB9A 333/4885
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 MAPT 8/4885TDP1 540/4885RAB9A 1100/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 MAPT 268/4885TDP1 689/4885RAB9A 333/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MAPT 268/4885TDP1 689/4885RAB9A 333/4885
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 MAPT 8/4885TDP1 540/4885RAB9A 1100/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MAPT 268/4885TDP1 689/4885RAB9A 333/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MAPT 268/4885TDP1 689/4885RAB9A 333/4885

“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.