SCHEMBL8769158

SCHEMBL8769158

CN(CC(=O)O)c1cccc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.43
EGFR P00533 3/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CLK1 P49759 1/20 0.38
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ITK Q08881 1/20 0.34
GRM5 P41594 1/20 0.34
NR4A2 P43354 1/20 0.34
PIK3CA P42336 1/20 0.34
CTSA P10619 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
SCHEMBL23725275 0.84 ALDH1A1 (0.39) ALDH1A1HPGDCLK1HTR7HTR1A
SCHEMBL8768674 0.83 CLK1 (0.40) ALDH1A1HPGDCLK1HTR7HTR1A
SCHEMBL1400663 0.77 CLK1 (0.40) ALDH1A1HPGDCLK1HTR7HTR1A
SCHEMBL1110998 0.77 HTR7 (0.42) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL8768703 0.76 PTGER2 (0.39) PTGER2EGFRTDP1GRM5NR4A2
SCHEMBL17846657 0.76 HCRTR1 (0.46)
SCHEMBL30438030 0.76 HTR7 (0.42) EGFRALDH1A1CLK1HTR7HTR1A
SCHEMBL1812488 0.76 HTR7 (0.42) EGFRALDH1A1CLK1HTR7HTR1A
SCHEMBL24323574 0.75 HTR7 (0.41) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL15064925 0.75 HTR7 (0.38) ALDH1A1HPGDCLK1HTR7HTR1A

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
EP-0579908-B1 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1997-09-10 EP claimed
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-5196541-A PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-AMINOACRYLIC ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-23 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-20140221362-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE PTGER2 3772/4885EGFR 4868/4885ALDH1A1 1595/4885

“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.