SCHEMBL22041006

SCHEMBL22041006

Cc1c(C(F)(F)F)cnn(C(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PDE9A O76083 1/20 0.33
BPTF Q12830 1/20 0.33
ACHE P22303 1/20 0.32
MAP3K12 Q12852 1/20 0.32
KAT2B Q92831 1/20 0.31
ESR1 P03372 2/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
COMT P21964 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4282462 0.77 BRD9 (0.40) CYP1A2LRRK2BPTFKAT2BCOMT
SCHEMBL12411024 0.76 BPTF (0.36) CYP1A2PDE9ABPTFKAT2BPDE1A
SCHEMBL9726422 0.73 BPTF (0.40) PDE9ABPTFKAT2BPDE1APDE1B
SCHEMBL13843845 0.68 CYP1A2 (0.40) CYP1A2LRRK2
SCHEMBL7537868 0.67 RAB9A (0.48) CYP1A2ALDH1A1L3MBTL1
SCHEMBL16131353 0.67 CYP1A2 (0.37) CYP1A2LRRK2PDE9AACHEESR1
SCHEMBL9234085 0.67 BPTF (0.48) CYP1A2BPTFKAT2BALDH1A1
SCHEMBL18711605 0.66 SPR (0.40) CYP1A2LRRK2ACHEMAP3K12ESR1
SCHEMBL7600596 0.63 GAA (0.37) COMTL3MBTL1
SCHEMBL9726416 0.63 ALDH1A1 (0.46) CYP1A2BPTFKAT2BPDE1CALDH1A1

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-11634390-B2 Agricultural chemicals GLOBACHEM NV (BE) 2023-04-25 US disclosed
US-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2020-06-04 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-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES CBR3, CBR1, CYP4X1 CYP1A2 54/4885LRRK2 2696/4885PDE9A 2419/4885
US-11634390-B2 Agricultural chemicals DDT, DHFR, AS3MT CYP1A2 38/4885LRRK2 4163/4885PDE9A 2800/4885

“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.