SCHEMBL23680931

SCHEMBL23680931

COc1ccnc(C(=O)N[C@@H](C)C(=O)OC2CCC2c2ccc(F)cc2)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.34
MAOA P21397 2/20 0.33
HCRTR1 O43613 1/20 0.33
SLC6A3 Q01959 5/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 2/20 0.32
MET P08581 3/20 0.32
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
TSHR P16473 1/20 0.31
AURKA O14965 1/20 0.31
RIPK2 O43353 1/20 0.31
ABCB11 O95342 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31

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
SCHEMBL29501811 1.00 NR3C2 (0.34) NR3C2MAOAHCRTR1SLC6A3SLC6A2
SCHEMBL23680918 0.91 IDO1 (0.35) SLC6A3SLC6A2SLC6A4MAPT
SCHEMBL29501757 0.91 IDO1 (0.35) SLC6A3SLC6A2SLC6A4MAPT
SCHEMBL29501802 0.88 HCRTR1 (0.34) HCRTR1METCCNT1CDK9KIT
SCHEMBL23680966 0.88 HCRTR1 (0.34) HCRTR1METCCNT1CDK9KIT
SCHEMBL23680940 0.81 MET (0.33) MAOAHCRTR1METCCNT1CDK9
SCHEMBL29501742 0.81 HTT (0.35) SLC6A2MAPT
SCHEMBL23680929 0.81 MET (0.33) MAOAHCRTR1METTSHRAURKA
SCHEMBL23680925 0.81 HTT (0.35) SLC6A2MAPT
SCHEMBL29501723 0.81 MET (0.33) MAOAHCRTR1METTSHRAURKA

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-20210227826-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-29 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-20210227826-A1 Microbiocidal Picolinamide Derivatives CASP2, CASP1, MSR1 NR3C2 2628/4885MAOA 598/4885HCRTR1 118/4885

“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.