SCHEMBL18019504

SCHEMBL18019504

O=[N+]([O-])c1ccc2c(c1)CC/C2=N\O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
MAPT P10636 6/20 0.49
HSP90AA1 P07900 2/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TDP2 O95551 1/20 0.44
TYMS P04818 1/20 0.44
PTPRC P08575 1/20 0.43
S100A4 P26447 1/20 0.43
ADRA2A P08913 1/20 0.43
PNMT P11086 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL397319 0.78 MAPT (0.48) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL397320 0.78 MAPT (0.48) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL7281171 0.77 MAPT (0.53) MAPTHSP90AA1MEN1KMT2ARAB9A
SCHEMBL1567844 0.76 PTPRC (0.53) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL31456586 0.75 PTPRC (0.54) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL1527540 0.75 PTPRC (0.54) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL7275458 0.73 MEN1 (0.81) MAPTHSP90AA1MEN1KMT2ARAB9A
SCHEMBL7402148 0.73 PNMT (0.49) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL11542125 0.73 MAPT (0.44) HTTMAPTHSP90AA1CDK5CDK5R1
SCHEMBL11542124 0.73 MAPT (0.44) HTTMAPTHSP90AA1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US disclosed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 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-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS HTT 3003/4885MAPT 4662/4885HSP90AA1 2599/4885

“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.