SCHEMBL2161783

SCHEMBL2161783

Cc1cc(Cn2ccc(C(F)(F)C(F)(F)F)n2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
SKP2 Q13309 1/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KLKB1 P03952 3/20 0.32
KLK1 P06870 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
S100B P04271 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL2888067 0.79 LMNA (0.38) ALDH1A1TDP1L3MBTL1SMN1; SMN2MEN1
SCHEMBL5906334 0.79 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1SKP2NPC1
SCHEMBL2889650 0.78 SKP2 (0.36) ALDH1A1TDP1SKP2NPC1RAB9A
SCHEMBL2162268 0.78 SKP2 (0.36) ALDH1A1TDP1SKP2NPC1RAB9A
SCHEMBL1838061 0.78 SKP2 (0.36) ALDH1A1TDP1SKP2NPC1RAB9A
SCHEMBL2161248 0.77 KLKB1 (0.37) SKP2SMN1; SMN2KLKB1KLK1
SCHEMBL2161565 0.77 GRIA2 (0.41) ALDH1A1L3MBTL1SKP2NPC1RAB9A
SCHEMBL1836900 0.77 SKP2 (0.35) ALDH1A1TDP1SKP2NPC1RAB9A
SCHEMBL5716653 0.76 SKP2 (0.43) ALDH1A1TDP1SKP2NPC1RAB9A
SCHEMBL2889785 0.76 MAPT (0.43) ALDH1A1L3MBTL1SKP2KLKB1MEN1

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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 ALDH1A1 928/4885TDP1 4411/4885L3MBTL1 217/4885

“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.