SCHEMBL13566

SCHEMBL13566

CON(C)C(=O)c1cnc2ccc(Br)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.43
ALPL P05186 2/20 0.43
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
NCEH1 Q6PIU2 1/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
CFTR P13569 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGDS O60760 2/20 0.37
MGAM O43451 1/20 0.37
ALOX15 P16050 1/20 0.36
MLYCD O95822 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15447357 0.89 ALDH1A1 (0.41) MALT1ALPLALDH1A1F2GLA
SCHEMBL7600387 0.89 HPGDS (0.46) NCEH1CFTRMEN1KMT2ATDP1
SCHEMBL20023715 0.84 TRPM8 (0.41) ALDH1A1F2GLAHPGDHTT
SCHEMBL2652332 0.82 MGAM (0.58) HTTCFTRMEN1KMT2AMGAM
SCHEMBL1351061 0.80 HTT (0.52) MALT1ALPLALDH1A1F2GLA
SCHEMBL192728 0.80 NCEH1 (0.54) NCEH1MEN1KMT2ATDP1MLYCD
SCHEMBL9637 0.78 HTT (0.46) MALT1ALPLALDH1A1F2GLA
SCHEMBL20023728 0.78 HPGDS (0.39) ALDH1A1F2GLAHPGDCFTR
SCHEMBL15447600 0.77 NCEH1 (0.41) MALT1ALDH1A1NCEH1MEN1KMT2A
SCHEMBL9508 0.76 MGAM (0.62) MALT1ALPLALDH1A1HTTMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP MALT1 2970/4885ALPL 1823/4885ALDH1A1 1846/4885
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS MALT1 2022/4885ALPL 2890/4885ALDH1A1 1076/4885

“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.