SCHEMBL22326650

SCHEMBL22326650

Cc1ccc2cc(I)cnc2c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
TET2 Q6N021 4/20 0.36
KDM4E B2RXH2 1/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
ABL1 P00519 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
LMNA P02545 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
SCHEMBL12483903 0.81 TET2 (0.44) CCR1CCR5CCR8TET2KDM4E
SCHEMBL29801578 0.81 TET2 (0.44) CCR1CCR5CCR8TET2KDM4E
SCHEMBL22547744 0.81 CCR1 (0.67) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL15623774 0.79 TET2 (0.37) CCR1CCR5CCR8TET2KDM4E
SCHEMBL22326616 0.79 TET2 (0.36) CCR1CCR5CCR8TET2
SCHEMBL22846538 0.78 CCR1 (0.52) CCR1CCR5CCR8TET2KDM4E
SCHEMBL21064344 0.76 CCR1 (0.76) CCR1CCR5CCR8TET2KDM4E
SCHEMBL13486493 0.74 KDM4E (0.44) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL13356679 0.72 ALDH1A1 (0.39) TET2LMNA
SCHEMBL31716645 0.71 TET2 (0.42) CCR1CCR5CCR8TET2

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-11219214-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-01-11 US disclosed
US-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-15 US disclosed
US-10736321-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-11 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 (3 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-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 CCR1 4876/4885CCR5 4873/4885CCR8 4830/4885
US-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 CCR1 4876/4885CCR5 4873/4885CCR8 4830/4885
US-11219214-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 CCR1 4876/4885CCR5 4873/4885CCR8 4830/4885

“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.