SCHEMBL2979510

SCHEMBL2979510

BrCc1c(-c2ccccc2)cc2ccccc2c1-c1c(CBr)c(-c2ccccc2)cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 11/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MPI P34949 1/20 0.46
ALOX5 P09917 1/20 0.44
RECQL P46063 1/20 0.43
CYP11B1 P15538 1/20 0.39
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL31275912 1.00 GPR84 (0.49) GPR84MEN1KMT2AKDM4EHPGD
SCHEMBL12583275 0.96 GPR84 (0.51) GPR84MEN1KMT2AKDM4EHPGD
SCHEMBL12583038 0.86 GPR84 (0.54) GPR84MEN1KMT2AKDM4EHPGD
SCHEMBL12583341 0.84 GPR84 (0.51) GPR84MEN1KMT2AKDM4EALDH1A1
SCHEMBL12583315 0.84 HSD17B1 (0.46) GPR84MEN1KMT2AKDM4EHPGD
SCHEMBL12583304 0.83 GPR84 (0.40) GPR84MEN1KMT2AKDM4EHPGD
SCHEMBL12583036 0.82 GPR84 (0.55) GPR84MEN1KMT2AKDM4EHPGD
SCHEMBL12583327 0.82 KIF11 (0.41) GPR84MEN1KMT2AKDM4EALDH1A1
SCHEMBL12642229 0.82 GPR84 (0.40) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL12583286 0.82 CA1 (0.43) GPR84MEN1KMT2AKDM4EALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716524-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing a-amino acid and derivative thereof with the same NAGASE & CO., LTD (JP) 2014-05-06 US disclosed
US-20110152562-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING a-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2011-06-23 US disclosed
US-7928224-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD (JP) 2011-04-19 US disclosed
US-7781425-B2 Guanidine compound and asymmetric reaction using the same TAKASAGO INTERNATIONAL COPORATION (JP) 2010-08-24 US disclosed
US-7781425-B2 Guanidine compound and asymmetric reaction using the same TAKASAGO INTERNATIONAL COPORATION (JP) 2010-08-24 US disclosed
US-7781425-B2 Guanidine compound and asymmetric reaction using the same TAKASAGO INTERNATIONAL COPORATION (JP) 2010-08-24 US disclosed
US-20080154036-A1 Guanidine Compound and Asymmetric Reaction Using the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-06-26 US disclosed
US-20080154036-A1 Guanidine Compound and Asymmetric Reaction Using the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-06-26 US disclosed
US-20080154036-A1 Guanidine Compound and Asymmetric Reaction Using the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-06-26 US disclosed
US-20070161624-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same KISHIDA CHEMICAL CO., LTD. (JP) 2007-07-12 US disclosed
US-20070135654-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD (JP) 2007-06-14 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 (4 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-20070135654-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT GPR84 3986/4885MEN1 684/4885KMT2A 327/4885
US-20080154036-A1 Guanidine Compound and Asymmetric Reaction Using the Same GEMIN5, PRMT5, SMS GPR84 1435/4885MEN1 2288/4885KMT2A 914/4885
US-20110152562-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING a-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, AADAT, BCAT2 GPR84 3913/4885MEN1 694/4885KMT2A 336/4885
US-20070161624-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same BCAT1, BCAT2, AADAT GPR84 3986/4885MEN1 684/4885KMT2A 327/4885

“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.