SCHEMBL2889521

SCHEMBL2889521

Cc1cc(Cn2cc(C(F)(F)CC(F)(F)F)c(C(F)(F)CC(F)(F)F)n2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.34
KLK1 P06870 2/20 0.34
SKP2 Q13309 1/20 0.34
GRIA2 P42262 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL1838061 0.81 SKP2 (0.36) KLKB1KLK1SKP2GRIA2ALDH1A1
SCHEMBL2161248 0.81 KLKB1 (0.37) KLKB1KLK1SKP2GRIA2
SCHEMBL2889517 0.78 KLKB1 (0.35) KLKB1KLK1SKP2GRIA2
SCHEMBL2161366 0.78 KLKB1 (0.40) KLKB1KLK1SKP2GRIA2ALDH1A1
SCHEMBL13616210 0.77 KLKB1 (0.41) KLKB1KLK1SKP2
SCHEMBL2161475 0.77 KLKB1 (0.39) KLKB1KLK1SKP2GRIA2
SCHEMBL2889777 0.76 KLKB1 (0.35) KLKB1KLK1GRIA2
SCHEMBL1836900 0.76 SKP2 (0.35) KLKB1KLK1SKP2GRIA2ALDH1A1
SCHEMBL2161490 0.75 GRIA2 (0.38) KLKB1KLK1SKP2GRIA2
SCHEMBL2162198 0.74 KLKB1 (0.38) KLKB1KLK1SKP2GRIA2

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
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 KLKB1 4851/4885KLK1 3915/4885SKP2 1205/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT KLKB1 4628/4885KLK1 3613/4885SKP2 1596/4885

“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.