SCHEMBL21079102

SCHEMBL21079102

Cc1c(N)ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.32
GRM6 O15303 1/20 0.32
AAK1 Q2M2I8 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL29534046 0.86 GRM6 (0.34) MT-CO2GRM6AAK1
SCHEMBL20045664 0.86 GRM6 (0.34) MT-CO2GRM6AAK1
SCHEMBL20045665 0.79 CYP3A4 (0.39) GRM6AAK1
SCHEMBL30961659 0.79 CYP3A4 (0.39) GRM6AAK1
SCHEMBL21272228 0.78 GAA (0.47) MT-CO2AAK1KMT2A
SCHEMBL2292695 0.75 TSHR (0.33) MT-CO2
SCHEMBL6351465 0.75 NR1H4 (0.40) KMT2A
SCHEMBL20251278 0.74 NR1H2 (0.39) AAK1KMT2A
SCHEMBL29223984 0.73 GRM6 (0.38) GRM6AAK1LMNA
SCHEMBL30864316 0.73 GRM6 (0.38) GRM6AAK1LMNA

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-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 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-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD MT-CO2 15/4885GRM6 4196/4885AAK1 2083/4885

“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.