SCHEMBL3133568

SCHEMBL3133568

O=C(Nc1c(Br)cc(C(O)(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.52
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
KCNJ8 Q15842 1/20 0.52
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
THRB P10828 1/20 0.45
MAPK9 P45984 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL1820368 0.85 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL3135074 0.83 PTGS1 (0.48) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL289758 0.81 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL13875633 0.80 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL1810895 0.78 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL1811552 0.78 F2 (0.48) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL1767250 0.78 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL1766897 0.78 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL2113906 0.77 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL4187861 0.77 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618173-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2013-12-31 US disclosed
WO-2013092942-A1 USE OF AMINOBENZAMIDE DERIVATIVES FOR CONTROLLING ANIMAL PARASITES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
EP-2203052-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-07-07 EP disclosed
WO-2009049845-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO disclosed
WO-2009049845-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 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 (1 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-20100240712-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, ACHE ABCC9 394/4885ABCC8 1511/4885KCNJ11 458/4885

“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.