SCHEMBL21875156

SCHEMBL21875156

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(-c3ccccc3)csc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.33
▸ DHODH Q02127 2/20 0.32
▸ KIT P10721 2/20 0.32
▸ TP53 P04637 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ TLR9 Q9NR96 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BCL2A1 Q16548 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.32
▸ PTGS2 P35354 2/20 0.31
▸ IDH2 P48735 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL29599914 1.00 KCNH2 (0.33) KCNH2DHODHKITTP53HPGD
SCHEMBL29581573 0.88 LOXL2 (0.35) KCNH2KIT
SCHEMBL20547521 0.88 LOXL2 (0.35) KCNH2KIT
SCHEMBL21949317 0.87 KCNH2 (0.32) KCNH2SDHB
SCHEMBL20547491 0.87 KCNH2 (0.33) KCNH2PTGS2
SCHEMBL29581433 0.87 KCNH2 (0.33) KCNH2PTGS2
SCHEMBL21948581 0.86 KCNH2 (0.31) KCNH2SDHB
SCHEMBL24361053 0.84 KCNH2 (0.30) KCNH2
SCHEMBL21875185 0.84 S1PR1 (0.33) S1PR1
SCHEMBL20547496 0.84 ALDH1A1 (0.33) DHODHKITTP53HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110582503-B Fused bicyclic heterocyclic compound derivatives as pest control agents 拜耳公司 2022-05-31 — — CN disclosed
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US disclosed
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US disclosed
CN-110582503-A Fused bicyclic heterocyclic compound derivatives as pest control agents 拜耳公司 2019-12-17 — — CN 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-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE KCNH2 747/4885DHODH 1014/4885KIT 3278/4885

“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.

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