SCHEMBL12131981

SCHEMBL12131981

Fc1cc(F)cc(Nc2cnc3c(c2)CCN3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.43
GRM5 P41594 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
AXL P30530 4/20 0.34
TYRO3 Q06418 4/20 0.34
MERTK Q12866 2/20 0.34
GRM4 Q14833 1/20 0.34
PIK3CD O00329 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL13138811 0.86 GRM5 (0.44) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL12131851 0.78 GRM5 (0.43) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL1723715 0.77 NNMT (0.53) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL8385220 0.74 GRM5 (0.41) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL12131816 0.74 KIF11 (0.52) AXLTYRO3MERTKGRM4HDAC3
SCHEMBL13139105 0.72 ADRA2A (0.51) NNMTGRM5PIK3C3ADRA2AADRA2B
SCHEMBL26441622 0.72 NNMT (0.45) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL26441018 0.72 NNMT (0.45) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL10293323 0.72 ASIC3 (0.62) NNMTGRM5ASIC3ALOX5APFEN1
SCHEMBL12960824 0.72 ADRA2A (0.50) NNMTGRM5ASIC3PIK3C3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 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 (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-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 NNMT 1618/4885GRM5 1778/4885ASIC3 3359/4885

“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.