SCHEMBL4219684

SCHEMBL4219684

Fc1ccc([S])c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.37
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ MPI P34949 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTR1B P28222 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ GPR65 Q8IYL9 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ PDE7A Q13946 2/20 0.32
▸ CXCR5 P32302 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL30366540 0.83 HPRT1 (0.46) HPRT1SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL6562728 0.83 HPRT1 (0.46) HPRT1SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL16917822 0.75 HTR1B (0.42) HPRT1SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL5015496 0.70 CES2 (0.43) HPRT1SLC6A4ALDH1A1TSHRKDM4E
SCHEMBL29618976 0.70 CES2 (0.43) HPRT1SLC6A4ALDH1A1TSHRKDM4E
SCHEMBL4219687 0.68 SLC6A4 (0.37) HPRT1SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL7553197 0.68 CYP2A6 (0.68) HPRT1SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL484933 0.68 IDO1 (0.68) TSHRKDM4EMPIL3MBTL1MAPT
SCHEMBL4207823 0.68 ALDH1A1 (0.39) HPRT1SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL423873 0.68 CYP1A2 (0.68) HPRT1SLC6A4SLC6A3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 — — EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 — — EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 — — US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 — — US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 — — EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 — — US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 — — US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 — — WO disclosed
US-7494996-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2009-02-24 — — US disclosed
EP-1337150-A4 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2007-09-26 — — EP disclosed
US-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides KELLY MARTHA JEAN (US) 2004-12-02 — — US disclosed
EP-1337150-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES Dow AgroSciences LLC (US) 2003-08-27 — — EP disclosed
WO-2002067675-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2002-09-06 — — 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 (3 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 HPRT1 4674/4885SLC6A4 4011/4885SLC6A3 4006/4885
US-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DDT, CYP4B1, CYP4X1 HPRT1 2801/4885SLC6A4 500/4885SLC6A3 391/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 HPRT1 4732/4885SLC6A4 4223/4885SLC6A3 3821/4885

“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