SCHEMBL1811552

SCHEMBL1811552

O=C(Nc1c(Br)cc(C(c2ccc(Cl)cc2)(n2cc(Cl)cn2)C(F)(F)F)cc1Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
KLKB1 P03952 1/20 0.48
ELANE P08246 1/20 0.48
KMT2A Q03164 8/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL1815240 0.86 PTGS1 (0.42) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL13497564 0.85 RHOC (0.35) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2260416 0.80 MEN1 (0.46) KMT2ALMNAMAPTMEN1SMN1; SMN2
SCHEMBL3133568 0.78 ABCC9 (0.52) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1820368 0.75 ABCC9 (0.62) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL289758 0.74 ABCC9 (0.53) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1822619 0.71 LMNA (0.48) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1766897 0.70 ABCC9 (0.53) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL13875633 0.70 ABCC9 (0.58) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1767250 0.70 ABCC9 (0.53) KMT2AABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 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-20110201603-A1 Novel Acylaminobenzamide Derivatives KCNB1, KCNA5, KCNA7 F2 1551/4885PLAU 4837/4885KLKB1 4622/4885

“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.