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SCHEMBL29525358

SCHEMBL29525358

COC(=O)COc1nc(-c2ccc(F)cn2)n(-c2ccc(Cl)cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.40
▸ MALT1 Q9UDY8 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ CXCR1 P25024 2/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ TACR3 P29371 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
SCHEMBL29525135 1.00 P2RX7 (0.40) P2RX7MALT1L3MBTL1CNR1CNR2
SCHEMBL24409835 1.00 P2RX7 (0.40) P2RX7MALT1L3MBTL1CNR1CNR2
SCHEMBL30697304 0.89 P2RX7 (0.38) P2RX7MALT1L3MBTL1CNR1CNR2
SCHEMBL24409790 0.89 P2RX7 (0.38) P2RX7MALT1L3MBTL1CNR1CNR2
SCHEMBL29633458 0.85 CNR1 (0.40) P2RX7MALT1CNR1CNR2
SCHEMBL24406712 0.85 CNR1 (0.40) P2RX7MALT1CNR1CNR2
SCHEMBL24407471 0.80 CNR1 (0.38) P2RX7MALT1CNR1CNR2CXCR1
SCHEMBL29655506 0.80 CNR1 (0.38) P2RX7MALT1CNR1CNR2CXCR1
SCHEMBL24409826 0.80 CXCR1 (0.40) MALT1CXCR1CXCR2GRM5HCRTR1
SCHEMBL26940211 0.80 CXCR1 (0.40) MALT1CXCR1CXCR2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606542-B2 [(1,5-diheteroaryl-1H-1,2,4-triazol-3-yl)oxy] acetic acid derivatives as safeners for the protection of useful plants and crop plants BAYER AKTIENGESELLSCHAFT (DE) 2026-04-21 — — US disclosed
US-20230416229-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-12-28 — — US disclosed
EP-4240731-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 — — EP disclosed
WO-2022096449-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 — — 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 (2 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-20230416229-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, HAAO, HAO1 P2RX7 3536/4885MALT1 2944/4885L3MBTL1 1184/4885
US-12606542-B2 [(1,5-diheteroaryl-1H-1,2,4-triazol-3-yl)oxy] acetic acid derivatives as safeners for the protection of useful plants and crop plants CBR3, CBR1, HACL2 P2RX7 4448/4885MALT1 1480/4885L3MBTL1 148/4885

“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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