SCHEMBL20004391

SCHEMBL20004391

CN(C)c1cc(C=C(Br)Br)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.38
TRPA1 O75762 2/20 0.36
GABRA1 P14867 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAT2A P31153 1/20 0.31
KCNH2 Q12809 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL20529121 0.76 CYP2A6 (0.47) APPKDM4EALDH1A1
SCHEMBL25787683 0.76 ALDH1A1 (0.39) APPTRPA1ALDH1A1MAPTMAT2A
SCHEMBL18360453 0.69 CCR5 (0.44) APPALDH1A1MAPT
SCHEMBL31147159 0.69 ALDH1A1 (0.57) APPKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL2710877 0.69 MCL1 (0.46) APPALDH1A1MAPT
SCHEMBL2259346 0.69 ALDH1A1 (0.41) ALDH1A1MAPT
SCHEMBL2172380 0.68 TUBB1 (0.57) NFE2L2
SCHEMBL5716098 0.68 PSEN1 (0.49) APPALDH1A1KCNH2NFE2L2
SCHEMBL17269560 0.66 AKR1B1 (0.47) TRPA1KDM4EALDH1A1NFE2L2
SCHEMBL2011613 0.65 FBP1 (0.55) TRPA1SIGMAR1ALDH1A1MAPTNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT APP 15/4885TRPA1 2188/4885GABRA1 1766/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT APP 16/4885TRPA1 2531/4885GABRA1 1698/4885

“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.