SCHEMBL29434530

SCHEMBL29434530

O=C(O)c1cc(OCC(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NR4A2 P43354 2/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CES2 O00748 1/20 0.44
RXRA P19793 2/20 0.44

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
SCHEMBL22530375 1.00 MRGPRX4 (0.47) MRGPRX4L3MBTL1NR4A2MAPTMEN1
SCHEMBL27893393 0.90 L3MBTL1 (0.51) MRGPRX4L3MBTL1NR4A2MAPTMEN1
SCHEMBL977465 0.90 MAPT (0.55) MRGPRX4L3MBTL1NR4A2MAPTMEN1
SCHEMBL13699188 0.83 PLA2G2A (0.53) MRGPRX4NR4A2MEN1KMT2ACES2
SCHEMBL25173367 0.83 MRGPRX4 (0.44) MRGPRX4NR4A2MEN1KMT2ACES2
SCHEMBL17703910 0.83 NOTUM (0.59) MRGPRX4MAPTMEN1KMT2AHTT
SCHEMBL29893219 0.83 MRGPRX4 (0.44) MRGPRX4NR4A2MEN1KMT2ACES2
SCHEMBL14812142 0.82 MEN1 (0.48) MRGPRX4L3MBTL1MAPTMEN1KMT2A
SCHEMBL2277550 0.82 L3MBTL1 (0.45) MRGPRX4L3MBTL1NR4A2MAPTMEN1
SCHEMBL13825537 0.82 ALDH1A1 (0.47) MRGPRX4L3MBTL1NR4A2MAPTMEN1

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-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
CN-115244036-A Pesticidally active diazine-bisamide compounds 先正达农作物保护股份公司 2022-10-25 CN disclosed
EP-3953343-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS Syngenta Crop Protection AG (CH) 2022-02-16 EP 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-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS DDT, ACHE, NIT2 MRGPRX4 3553/4885L3MBTL1 1415/4885NR4A2 2331/4885

“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.