SCHEMBL17504064

SCHEMBL17504064

Sc1ccccc1[CH]c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.37
NFE2L2 Q16236 3/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
MAOB P27338 2/20 0.36
CYP2A6 P11509 1/20 0.36
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 1/20 0.31
MAOA P21397 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC3 O15379 1/20 0.30

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
SCHEMBL8416900 0.81 ALDH1A1 (0.45) TRPA1NFE2L2ALDH1A1TSHRMAOB
SCHEMBL28895712 0.81
SCHEMBL6681380 0.73 LMNA (0.62) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL28122118 0.73 NFE2L2 (0.46) TRPA1NFE2L2ALDH1A1LMNAHDAC8
SCHEMBL16447076 0.73 NFE2L2 (0.46) TRPA1NFE2L2ALDH1A1LMNAHDAC8
SCHEMBL1302 0.71 ALDH1A1 (0.53) TRPA1NFE2L2ALDH1A1TSHRMAOB
SCHEMBL28730003 0.70
SCHEMBL4572237 0.70
SCHEMBL1009581 0.70 TSHR (0.52) TRPA1NFE2L2ALDH1A1TSHRMAOB
SCHEMBL8474848 0.70 TRPA1 (0.64) TRPA1NFE2L2ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity RED BULL GMBH (AT) 2019-03-05 US disclosed
EP-2985279-B1 Heterocyclic compounds with working memory enhancing activity RED BULL GMBH (AT) 2017-08-02 EP disclosed
US-20170174642-A1 HETEROCYCLIC COMPOUNDS WITH WORKING MEMORY ENHANCING ACTIVITY COGMOTIV FLEXCO (AT) 2017-06-22 US disclosed
WO-2016023997-A1 HETEROCYCLIC COMPOUNDS WITH WORKING MEMORY ENHANCING ACTIVITY RED BULL GMBH (AT) 2016-02-18 WO disclosed
EP-2985279-A1 Heterocyclic compounds with working memory enhancing activity Red Bull GmbH (AT) 2016-02-17 EP 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-20170174642-A1 HETEROCYCLIC COMPOUNDS WITH WORKING MEMORY ENHANCING ACTIVITY TAAR1, ACHE, RIF1 TRPA1 1047/4885NFE2L2 54/4885ALDH1A1 384/4885
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity TAAR1, ACHE, RIF1 TRPA1 1047/4885NFE2L2 54/4885ALDH1A1 384/4885

“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.