SCHEMBL14003

SCHEMBL14003

COC(=O)/C=C(\C)c1cnc2ccc(Br)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
ALPL P05186 2/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
GPR183 P32249 1/20 0.38
ALOX15 P16050 1/20 0.37
HPGDS O60760 4/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL9388 1.00 MALT1 (0.44) MALT1ALPLHTTTSHRKDM4E
SCHEMBL9389 1.00 MALT1 (0.44) MALT1ALPLHTTTSHRKDM4E
SCHEMBL26750777 0.86 ALPL (0.39) MALT1ALPLHTTTSHRKMT2A
SCHEMBL30628954 0.86 ALPL (0.39) MALT1ALPLHTTTSHRKMT2A
SCHEMBL14327933 0.86 KDM4E (0.40) HTTKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL26623559 0.85 ALPL (0.41) MALT1ALPLHTTTSHRALDH1A1
SCHEMBL13096310 0.83 KDM4E (0.58) HTTTSHRKDM4EKMT2ASMN1; SMN2
SCHEMBL1351061 0.81 HTT (0.52) MALT1ALPLHTTTSHRKDM4E
SCHEMBL9637 0.79 HTT (0.46) MALT1ALPLHTTTSHRALDH1A1
SCHEMBL9715 0.78 LCK (0.44) TSHRKDM4EKMT2ASMN1; SMN2ALDH1A1

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 5 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-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 (1 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 1823/4885HTT 2393/4885

“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.