SCHEMBL5587430

SCHEMBL5587430

Clc1[c]n(-c2ncccc2Cl)nc1Br

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
S1PR4 O95977 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
SCHEMBL536183 0.74 TRPA1 (0.34) TRPA1HSD11B1MALT1RPS6KA5TRPV1
SCHEMBL535366 0.74 RPS6KA5 (0.37) TRPA1HSD11B1MALT1RPS6KA5TRPV1
SCHEMBL435321 0.70 RPS6KA5 (0.35) TRPA1HSD11B1MALT1RPS6KA5TRPV1
SCHEMBL536053 0.70 TRPA1 (0.35) TRPA1HSD11B1MALT1RPS6KA5TRPV1
SCHEMBL536052 0.70 TRPA1 (0.35) TRPA1HSD11B1MALT1TRPV1
SCHEMBL27793748 0.70 RPS6KA5 (0.35) TRPA1HSD11B1MALT1RPS6KA5TRPV1
SCHEMBL23248718 0.69 RPS6KA5 (0.35) TRPA1HSD11B1MALT1RPS6KA5TRPV1
Magnesium SCHEMBL29535504 0.69 RPS6KA5 (0.35) TRPA1HSD11B1MALT1RPS6KA5TRPV1
SCHEMBL535632 0.69 TRPA1 (0.37) TRPA1HSD11B1MALT1TRPV1
SCHEMBL535613 0.68 MALT1 (0.36) TRPA1HSD11B1MALT1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP 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
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2012-08-30 US 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-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 TRPA1 1808/4885HSD11B1 178/4885MALT1 3955/4885
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

“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.