SCHEMBL924601

SCHEMBL924601

O=C(O)C=Cc1cc(F)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.55
EIF2AK2 P19525 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
HTT P42858 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MIF P14174 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
RELA Q04206 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NFKB1 P19838 1/20 0.43
CA4 P22748 1/20 0.43
BACE1 P56817 1/20 0.43
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 2/20 0.40

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
SCHEMBL924598 1.00 TDO2 (0.55) TDO2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL1988899 0.87 TDO2 (0.54) TDO2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL30356613 0.87 TDO2 (0.54) TDO2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL1988898 0.87 TDO2 (0.54) TDO2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL29398851 0.87 TDO2 (0.54) TDO2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL5862650 0.83 EIF2AK2 (0.55) EIF2AK2CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL5862648 0.83 EIF2AK2 (0.55) EIF2AK2CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL31528726 0.82 BACE1 (0.48) TDO2KDM4ERELABACE1HSD11B1
SCHEMBL1804321 0.81 BACE1 (0.62) EIF2AK2CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL1804320 0.81 BACE1 (0.62) EIF2AK2CSNK2A2CSNK2BCSNK2A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP TDO2 4435/4885EIF2AK2 2638/4885CSNK2A2 299/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP TDO2 4435/4885EIF2AK2 2638/4885CSNK2A2 299/4885

“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.