SCHEMBL21061051

SCHEMBL21061051

O=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)c1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ GAA P10253 2/20 0.40

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
SCHEMBL12502989 0.84 MEN1 (0.56) MAPK1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL21061056 0.80 ALDH1A1 (0.48) MAPK1GLAHPGDRAB9ASMN1; SMN2
SCHEMBL28444437 0.78 ACP3 (0.51) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22783988 0.77 SMN1; SMN2 (0.53) MAPK1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL21137744 0.73 GAA (0.39) MAPK1GLAHPGDRAB9ASMN1; SMN2
SCHEMBL21061058 0.73 SMN1; SMN2 (0.55) MAPK1GLAHPGDRAB9ASMN1; SMN2
SCHEMBL18357054 0.72 RAB9A (0.58) MAPK1GLAHPGDRAB9ASMN1; SMN2
SCHEMBL28341288 0.72 PPARG (0.54) HPGDRXFP1ALDH1A1MEN1KMT2A
Acetamide SCHEMBL27527964 0.71 SMN1; SMN2 (0.51) MAPK1GLAHPGDRAB9ASMN1; SMN2
SCHEMBL21137786 0.70 RAB9A (0.56) MAPK1HPGDRAB9ASMN1; SMN2NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-17 — — US disclosed
US-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-17 — — US disclosed
CN-111511721-A Pesticidally active mesoionic heterocyclic compounds 先正达参股股份有限公司 2020-08-07 — — CN disclosed
WO-2019115404-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-20 — — WO disclosed
WO-2019115404-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-20 — — WO 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-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS DDT, ACHE, MNS1 MAPK1 1280/4885GLA 2721/4885HPGD 1485/4885

“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