SCHEMBL30436669

SCHEMBL30436669

CCSc1cc(O)ccc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL25239673 1.00 PDE2A (0.38) PDE2APDE10AALDH1A1ALOX5POLB
SCHEMBL17466030 0.89 NPC1 (0.32) ALDH1A1POLBHSD11B1
SCHEMBL16064947 0.88 DDR1 (0.34) PDE2APDE10APOLBHSD11B1
SCHEMBL30490811 0.87 PDE2A (0.32) PDE2AALDH1A1
SCHEMBL20482313 0.87 PDE2A (0.32) PDE2AALDH1A1
SCHEMBL17696192 0.85 POLB (0.33) PDE2AALDH1A1POLB
SCHEMBL19268282 0.83 POLB (0.31) POLB
SCHEMBL24313972 0.83 — —
SCHEMBL29482593 0.83 — —
SCHEMBL20482043 0.83 PDE10A (0.31) PDE10A

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-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-06-01 — — 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-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 PDE2A 409/4885PDE10A 849/4885ALDH1A1 209/4885

“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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