SCHEMBL2181845

SCHEMBL2181845

CC(C(=O)O)N(C)c1cccc(Br)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
STAT3 P40763 1/20 0.34
HTR7 P34969 2/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
GRM5 P41594 1/20 0.34
SMPD2 O60906 1/20 0.34
LTA4H P09960 1/20 0.33
CTSA P10619 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6632726 0.80 HTR7 (0.42) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL12616290 0.77 HTR7 (0.37) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL1400663 0.77 CLK1 (0.40) CLK1ALDH1A1HPGDHTR7HTR1A
SCHEMBL5343487 0.77 HTR7 (0.37) CLK1ALDH1A1HTR7HTR1ADRD2
SCHEMBL5533157 0.77 ALDH1A1 (0.36) CLK1ALDH1A1HPGDSTAT3HTR1A
SCHEMBL7656856 0.77 CLK1 (0.38) CLK1ALDH1A1HPGDSTAT3HTR7
SCHEMBL3415515 0.75 GRM5 (0.38) CLK1ALDH1A1HPGDSTAT3HTR7
SCHEMBL12538335 0.74 HTR7 (0.36) CLK1ALDH1A1HPGDHTR7HTR1A
SCHEMBL17804225 0.74 CLK1 (0.40) CLK1ALDH1A1HPGDHTR7HTR1A
SCHEMBL8769158 0.73 PTGER2 (0.43) CLK1ALDH1A1HPGDHTR7HTR1A

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-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 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-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE CLK1 2739/4885ALDH1A1 1595/4885HPGD 168/4885

“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.