SCHEMBL2113906

SCHEMBL2113906

O=C(Nc1c(Br)cc(SC(F)(F)C(F)(F)F)cc1Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.53
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
KCNJ8 Q15842 1/20 0.53
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
BLM P54132 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
THRA P10827 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL697193 0.94 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1820368 0.82 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL699294 0.81 LMNA (0.51) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1362562 0.81 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL289758 0.80 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL2111601 0.80 LMNA (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL4180513 0.79 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL699079 0.78 LMNA (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL697765 0.78 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL13875595 0.78 ALDH1A1 (0.51) ABCC9ABCC8KCNJ11KCNJ8KMT2A

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 9 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
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-8158814-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2012-04-17 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

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 ABCC9 1247/4885ABCC8 1557/4885KCNJ11 2850/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 ABCC9 158/4885ABCC8 133/4885KCNJ11 2946/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 ABCC9 762/4885ABCC8 82/4885KCNJ11 2876/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 ABCC9 1002/4885ABCC8 1315/4885KCNJ11 2625/4885

“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.