SCHEMBL22263186

SCHEMBL22263186

C=Cc1cccc(C(N)=O)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.48
PDK2 Q15119 1/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NFKB1 P19838 1/20 0.40
SCN9A Q15858 5/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
BCAT2 O15382 1/20 0.37
SLC9A1 P19634 1/20 0.37
MAOB P27338 1/20 0.37
CCNC P24863 1/20 0.37

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
SCHEMBL22263187 0.81 PARP1 (0.53) PARP1PDK2KEAP1NFE2L2SCN9A
SCHEMBL6173681 0.80 PARP1 (0.52) PARP1PDK2KEAP1NFE2L2SCN9A
SCHEMBL4776516 0.80 PARP1 (0.52) PARP1PDK2KEAP1NFE2L2SCN9A
SCHEMBL30608075 0.76 PARP1 (0.56) PARP1PDK2KEAP1NFE2L2SCN9A
SCHEMBL5143960 0.76 PARP1 (0.56) PARP1PDK2KEAP1NFE2L2SCN9A
SCHEMBL29758514 0.75 PARP1 (0.40) PARP1PDK2LMNAGAASLC9A1
SCHEMBL27667504 0.75 BCAT2 (0.49) PARP1KEAP1NFE2L2LMNABCAT2
SCHEMBL14120523 0.75 ALDH1A1 (0.43) KEAP1NFE2L2LMNAGAASLC9A1
SCHEMBL29733181 0.74 PARP1 (0.58) PARP1PDK2KEAP1NFE2L2SCN9A
SCHEMBL4776527 0.74 PARP1 (0.54) PARP1PDK2KEAP1NFE2L2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11166460-B2 α-amino acrylate microbicide, and preparation method therefor and uses thereof NANKAI UNIVERSITY (CN) 2021-11-09 US disclosed
US-20200236935-A1 a-Amino Acrylate microbicide, and preparation method therefor and uses thereof UNIV NANKAI (CN) 2020-07-30 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-20200236935-A1 a-Amino Acrylate microbicide, and preparation method therefor and uses thereof AASDHPPT, ACE, ADA PARP1 1358/4885PDK2 3214/4885KEAP1 2258/4885
US-11166460-B2 α-amino acrylate microbicide, and preparation method therefor and uses thereof ACE, AASDHPPT, DDT PARP1 1364/4885PDK2 2801/4885KEAP1 2404/4885

“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.