SCHEMBL12583286

SCHEMBL12583286

N#Cc1ccc(-c2cc3ccccc3c(-c3c(CBr)c(-c4ccc(C#N)cc4)cc4ccccc34)c2CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
SLC22A12 Q96S37 2/20 0.38
XDH P47989 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GPR84 Q9NQS5 6/20 0.37
TNKS O95271 1/20 0.37
PDPK1 O15530 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
ALOX5 P09917 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL12807173 0.85 CA1 (0.43) CA1CA2SLC22A12XDHCYP11B1
SCHEMBL12583275 0.83 GPR84 (0.51) CYP11B1GPR84MEN1KMT2AKDM4E
SCHEMBL2979510 0.82 GPR84 (0.49) CYP11B1GPR84MEN1KMT2AKDM4E
SCHEMBL31275912 0.82 GPR84 (0.49) CYP11B1GPR84MEN1KMT2AKDM4E
SCHEMBL12583038 0.80 GPR84 (0.54) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL13170959 0.79 CA1 (0.51) CA1CA2SLC22A12XDHCYP11B1
SCHEMBL12583223 0.79 CA1 (0.45) CA1CA2SLC22A12XDHCYP11B2
SCHEMBL12583341 0.78 GPR84 (0.51) CYP11B1CYP11B2GPR84MEN1KMT2A
SCHEMBL13170953 0.78 CA1 (0.50) CA1CA2SLC22A12XDHCYP11B1
SCHEMBL13170956 0.78 CA1 (0.50) CA1CA2SLC22A12XDHCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1712549-B1 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) 2018-04-11 EP disclosed
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-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-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-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-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
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 (3 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 CA1 657/4885CA2 434/4885SLC22A12 1406/4885
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 CA1 850/4885CA2 557/4885SLC22A12 1340/4885
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 CA1 657/4885CA2 434/4885SLC22A12 1406/4885

“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.