SCHEMBL9752

SCHEMBL9752

COC(=O)C=Cc1cnc2ccc(Br)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
KMT2A Q03164 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
RAB9A P51151 1/20 0.47
MALT1 Q9UDY8 1/20 0.45
FDPS P14324 1/20 0.44
TTR P02766 1/20 0.43
APP P05067 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TYR P14679 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTPN1 P18031 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
P2RY12 Q9H244 2/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL9751 1.00 KDM4E (0.70) KDM4EKMT2ASMN1; SMN2RAB9AMALT1
SCHEMBL30628958 0.86 KMT2A (0.52) KDM4EKMT2ASMN1; SMN2RAB9AMALT1
SCHEMBL26750756 0.86 KMT2A (0.52) KDM4EKMT2ASMN1; SMN2RAB9AMALT1
SCHEMBL14328057 0.85 KDM4E (0.71) KDM4EKMT2ASMN1; SMN2RAB9AFDPS
SCHEMBL26623580 0.83 RAB9A (0.67) KDM4EKMT2ASMN1; SMN2RAB9AAKR1C3
SCHEMBL6070375 0.82 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2RAB9AFDPS
SCHEMBL6070374 0.82 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2RAB9AFDPS
SCHEMBL9296 0.77 KDM4E (0.67) KDM4EKMT2ASMN1; SMN2RAB9ATSHR
SCHEMBL9297 0.77 KDM4E (0.67) KDM4EKMT2ASMN1; SMN2RAB9ATSHR
SCHEMBL9389 0.75 MALT1 (0.44) KDM4EKMT2ASMN1; SMN2RAB9AMALT1

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 4 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP 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 KDM4E 1816/4885KMT2A 1441/4885SMN1; SMN2 3569/4885

“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.