SCHEMBL536183

SCHEMBL536183

Clc1cccnc1-n1[c]cc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.34
HSD11B1 P28845 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
RPS6KA5 O75582 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
DHODH Q02127 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
SCHEMBL535293 0.83
SCHEMBL536052 0.83 TRPA1 (0.35) TRPA1HSD11B1MALT1TRPV1
SCHEMBL535632 0.82 TRPA1 (0.37) TRPA1HSD11B1MALT1TRPV1
SCHEMBL535589 0.81 NOS3 (0.35) HSD11B1TRPV1
SCHEMBL536083 0.81 TRPA1 (0.34) TRPA1HSD11B1MALT1RPS6KA5TRPV1
SCHEMBL951239 0.81
SCHEMBL535962 0.81 KDM4E (0.31)
SCHEMBL535921 0.81 HSD11B1 (0.41) TRPA1HSD11B1MALT1TRPV1
SCHEMBL535274 0.77 HSD11B1 (0.33) TRPA1HSD11B1TRPV1
SCHEMBL535492 0.77 TRPA1 (0.34) TRPA1HSD11B1RPS6KA5TRPV1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283773-A Sinomenine amide derivative, and preparation method and application thereof 安徽农业大学 2023-06-23 CN claimed
CN-108864075-B Isothiazole bithiazole derivative and preparation method and application thereof 南开大学 2021-06-01 CN claimed
CN-116283773-A Sinomenine amide derivative, and preparation method and application thereof 安徽农业大学 2023-06-23 CN disclosed
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
CN-107619408-B Aminothiazole carboxylic acid derivatives, and preparation method and application thereof 南开大学 2020-08-18 CN disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 US disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 US disclosed
US-8816128-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2014-08-26 US disclosed
EP-2197280-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-06-19 EP disclosed
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
EP-2145885-A1 HYDRAZIDE COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-20 EP disclosed
EP-2143721-A1 HYDRAZIDE COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-13 EP disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 US disclosed
JP-2008280340-A HYDRAZIDE COMPOUND AND AGENT COMPRISING THE SAME FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL CO LTD 2008-11-20 JP disclosed
JP-2008280339-A HYDRAZIDE COMPOUND AND AGENT COMPRISING THE SAME FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL CO LTD 2008-11-20 JP disclosed
WO-2008126889-A1 HYDRAZIDE COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
WO-2008126890-A1 HYDRAZIDE COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 US disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 EP 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 (4 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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 TRPA1 1051/4885HSD11B1 397/4885MALT1 3919/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 TRPA1 1738/4885HSD11B1 230/4885MALT1 3993/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 TRPA1 1058/4885HSD11B1 522/4885MALT1 3386/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT TRPA1 359/4885HSD11B1 651/4885MALT1 4865/4885

“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.