SCHEMBL2126156

SCHEMBL2126156

Clc1ccc2nc3c(c(Cl)c2c1)CCCC3

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.74
BCHE P06276 10/20 0.72
GRIN1 Q05586 5/20 0.72
GRIN2A Q12879 5/20 0.72
MAPT P10636 1/20 0.72
POLB P06746 2/20 0.62
RECQL P46063 1/20 0.62
CASP6 P55212 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CHRM1 P11229 1/20 0.60
EPHX2 P34913 1/20 0.60
TSHR P16473 2/20 0.58
GAA P10253 1/20 0.58
SLC2A1 P11166 1/20 0.55
CYP1A2 P05177 1/20 0.53

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
SCHEMBL18065461 0.98 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL2124292 0.97 ACHE (0.74) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL4266767 0.90 ACHE (0.74) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL29817918 0.84 BCHE (0.79) ACHEBCHEMAPTSLC2A1
SCHEMBL29023217 0.84 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL30356238 0.84 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
Hydrochloric Acid SCHEMBL29817833 0.84 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL29818075 0.83 BCHE (0.77) ACHEBCHEMAPTSLC2A1
SCHEMBL30991441 0.83 ACHE (0.70) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL1337681 0.83 ACHE (0.70) ACHEBCHEGRIN1GRIN2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071558-A1 NOVEL UNCHARGED REACTIVATORS AGAINST OP-INHIBITION OF HUMAN ACETYLCHOLINESTERASE Université de Strasbourg (FR) 2016-09-28 EP disclosed
US-20160272620-A1 NOVEL UNCHARGED REACTIVATORS AGAINST OP-INHIBITION OF HUMAN ACETYLCHOLINESTERASE UNIV STRASBOURG (FR) 2016-09-22 US disclosed
US-20160272620-A1 NOVEL UNCHARGED REACTIVATORS AGAINST OP-INHIBITION OF HUMAN ACETYLCHOLINESTERASE UNIV STRASBOURG (FR) 2016-09-22 US disclosed
WO-2015075082-A1 NOVEL UNCHARGED REACTIVATORS AGAINST OP-INHIBITION OF HUMAN ACETYLCHOLINESTERASE UNIVERSITE DE STRASBOURG (FR) 2015-05-28 WO disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (2 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-20160272620-A1 NOVEL UNCHARGED REACTIVATORS AGAINST OP-INHIBITION OF HUMAN ACETYLCHOLINESTERASE ACHE, BCHE, CHAT ACHE 1/4885BCHE 2/4885GRIN1 298/4885
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ACHE 3061/4885BCHE 1616/4885GRIN1 2955/4885

“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.