SCHEMBL135819

SCHEMBL135819

Cc1ccc(Br)c(C(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TRPA1 O75762 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL2477156 1.00 LMNA (0.42) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28493300 0.83 LMNA (0.47) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL2474757 0.83 LMNA (0.47) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5525837 0.82 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL16561617 0.80 GABRA1 (0.41) ALDH1A1TDP1L3MBTL1MAPK1HSP90AA1
SCHEMBL27777980 0.80 LMNA (0.39) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL16950494 0.78 LMNA (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL25189427 0.78 LMNA (0.34) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29280989 0.78 LMNA (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL25194055 0.78 LMNA (0.34) LMNATRPA1CHRM1SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584119-B2 Pyrazole compounds and methods of use thereof TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-03-10 US disclosed
US-20190084974-A1 PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-03-21 US disclosed
US-10131654-B2 Pyrazole compounds and methods of use thereof TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-11-20 US disclosed
US-20160009702-A1 PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF TRANSLATIONAL DRUG DEVELOPMENT, LLC 2016-01-14 US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
WO-2014138616-A2 PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2014-09-12 WO disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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 (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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 1875/4885TRPA1 201/4885CHRM1 1532/4885
US-20160009702-A1 PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF MKI67, CCNI, PDK1 LMNA 2148/4885TRPA1 4579/4885CHRM1 4607/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 1875/4885TRPA1 201/4885CHRM1 1532/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 1875/4885TRPA1 201/4885CHRM1 1532/4885
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B LMNA 1896/4885TRPA1 61/4885CHRM1 2449/4885
US-10584119-B2 Pyrazole compounds and methods of use thereof MKI67, CCNI, PDK1 LMNA 2148/4885TRPA1 4579/4885CHRM1 4607/4885
US-10131654-B2 Pyrazole compounds and methods of use thereof MKI67, CCNI, PDK1 LMNA 2148/4885TRPA1 4579/4885CHRM1 4607/4885
US-20190084974-A1 PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF MKI67, CCNI, PDK1 LMNA 2148/4885TRPA1 4579/4885CHRM1 4607/4885

“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.