SCHEMBL31060019

SCHEMBL31060019

O=c1oc(-c2cc(I)nn2-c2ncccc2Cl)nc2c(Cl)cc(Br)cc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.34
▸ C1R P00736 2/20 0.32
▸ PRSS1 P07477 1/20 0.30
▸ CTSG P08311 1/20 0.30
▸ KLK7 P49862 1/20 0.30
▸ KLK14 Q9P0G3 1/20 0.30
▸ KLK5 Q9Y337 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
SCHEMBL31060018 0.92 DHODH (0.37) DHODHC1R
SCHEMBL31059985 0.90 C1R (0.34) DHODHC1RPRSS1CTSGKLK7
SCHEMBL31060013 0.86 DHODH (0.38) DHODHC1RKLK7KLK14KLK5
SCHEMBL950829 0.84 DHODH (0.35) DHODHC1R
SCHEMBL12528553 0.84 DHODH (0.35) DHODHC1R
SCHEMBL950948 0.83 DHODH (0.39) DHODHC1R
SCHEMBL959093 0.83 C1R (0.33) DHODHC1RPRSS1CTSGKLK7
SCHEMBL12528630 0.83 DHODH (0.42) DHODHC1RPRSS1CTSGKLK7
SCHEMBL950250 0.82 DHODH (0.40) DHODHC1RPRSS1CTSGKLK7
SCHEMBL30749778 0.82 DHODH (0.40) DHODHC1RPRSS1CTSGKLK7

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-20240308988-A1 Method For Controlling Diamide Resistant Pests and Compounds Therefor SYNGENTA CROP PROTECTION AG (CH) 2024-09-19 — — 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-20240308988-A1 Method For Controlling Diamide Resistant Pests and Compounds Therefor DDT, NOS1, SLC11A2 DHODH 90/4885C1R 2980/4885PRSS1 4596/4885

“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.

Send feedback