SCHEMBL698074

SCHEMBL698074

O=C(Nc1c(Cl)cc([S+]([O-])C(F)(F)C(F)(F)C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
ABCC9 O60706 1/20 0.50
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
KCNJ8 Q15842 1/20 0.50
KMT2A Q03164 9/20 0.49
MEN1 O00255 8/20 0.49
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
THRB P10828 1/20 0.46
MAPK9 P45984 1/20 0.46
POLB P06746 2/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CACNA1B Q00975 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
SCHEMBL698112 0.88 ABCC9 (0.50) HTTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL699294 0.80 LMNA (0.51) LMNAHTTGAAABCC9ABCC8
SCHEMBL699238 0.80 TAS1R3 (0.36) LMNAHTTABCC9ABCC8KCNJ11
SCHEMBL2111601 0.80 LMNA (0.50) LMNAHTTGAAABCC9ABCC8
SCHEMBL699079 0.78 LMNA (0.53) LMNAHTTGAAABCC9ABCC8
SCHEMBL699260 0.77 LMNA (0.52) LMNAHTTGAAABCC9ABCC8
SCHEMBL299408 0.74 ABCC9 (0.53) LMNAHTTGAAABCC9ABCC8
SCHEMBL4180259 0.72 ABCC9 (0.48) LMNAHTTGAAABCC9ABCC8
SCHEMBL289758 0.72 ABCC9 (0.53) LMNAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1766491 0.72 ABCC9 (0.53) LMNAABCC9ABCC8KCNJ11KCNJ8

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 11 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
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP 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 LMNA 4134/4885HTT 316/4885GAA 3849/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 LMNA 2773/4885HTT 1753/4885GAA 2411/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 LMNA 3274/4885HTT 1960/4885GAA 2505/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 LMNA 3770/4885HTT 534/4885GAA 3175/4885

“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.