SCHEMBL21586212

SCHEMBL21586212

CCSc1cc(Br)ccc1-c1nc2cc(SC(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30402092 1.00 NPC1 (0.33) NPC1ALDH1A1TP53MAPTALOX15
SCHEMBL17514086 0.86 ALDH1A1 (0.34) NPC1ALDH1A1TP53MAPTALOX15
SCHEMBL30958301 0.86 ALDH1A1 (0.34) NPC1ALDH1A1TP53MAPTALOX15
SCHEMBL20847450 0.85 — —
SCHEMBL21586195 0.84 — —
SCHEMBL30970943 0.84 — —
SCHEMBL21590030 0.83 NPC1 (0.36) NPC1ALDH1A1TP53MAPTALOX15
SCHEMBL30970948 0.83 GRM5 (0.30) —
SCHEMBL21586225 0.83 GRM5 (0.30) —
SCHEMBL30970961 0.81 CYP1A2 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802542-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2025-05-28 — — EP disclosed
EP-4342297-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2024-03-27 — — EP disclosed
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — US disclosed
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — US disclosed
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — US disclosed
EP-3802542-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2021-04-14 — — EP disclosed
WO-2019234158-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 — — 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-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS AADAC, ACHE, DDT NPC1 4741/4885ALDH1A1 115/4885TP53 4735/4885

“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