SCHEMBL21066129

SCHEMBL21066129

CC(C)C1CC(c2ccccc2C#N)=NO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ESR2 Q92731 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
POLB P06746 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
AR P10275 1/20 0.33
TSHR P16473 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
SCHEMBL21066142 0.78 CA1 (0.51) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL22839966 0.74 ALDH1A1 (0.45) POLBALDH1A1HPGD
SCHEMBL21066088 0.73 CA1 (0.46)
SCHEMBL10389700 0.73 POLB (0.64) POLBALDH1A1MAPTHPGD
SCHEMBL21066144 0.72 CA1 (0.40) GAAALDH1A1MAPTHPGD
SCHEMBL22840044 0.72 MAOB (0.43)
SCHEMBL7376416 0.70 MIF (0.57) GAAMAPT
SCHEMBL21066133 0.69 CA12 (0.41) KDM4ETNKSTNKS2NISCHPOLB
SCHEMBL20182358 0.68 CA1 (0.35) POLBALDH1A1MAPTHPGD
SCHEMBL21066085 0.67 LMNA (0.45) GAAPOLBALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497101-B1 SUBSTITUTED 2-HETEROCYCLYL IMIDAZOLYL-CARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-12-30 EP disclosed
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-26 US disclosed
US-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 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 (2 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-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES DDT, PTMS, TSNAX KDM4E 340/4885GAA 1228/4885TNKS 2657/4885
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides DDT, PTMS, TSNAX KDM4E 340/4885GAA 1228/4885TNKS 2657/4885

“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.