SCHEMBL1928088

SCHEMBL1928088

O=[N+]([O-])c1cc(I)c2ncc(Br)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.37
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP6 P55212 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NQO2 P16083 1/20 0.37
CYP3A4 P08684 1/20 0.37
XDH P47989 1/20 0.36
GAA P10253 2/20 0.35

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
SCHEMBL1361650 0.84 NQO2 (0.49) KMT2AHTTMEN1ALDH1A1MAPT
SCHEMBL6631046 0.81 MAPT (0.57) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL18229829 0.75 HSP90AA1 (0.41) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL1928507 0.71 DYRK1A (0.40) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL1926191 0.71 DYRK1A (0.33) KMT2AHTTLMNAHPGD
SCHEMBL5232713 0.71 DYRK1A (0.33) KMT2AHTT
SCHEMBL4816985 0.71 ALDH1A1 (0.54) KMT2AHTTMEN1ALDH1A1MAPT
SCHEMBL6628248 0.71 MAPT (0.50) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2198619 0.70 GPR35 (0.44) KMT2AHTTMEN1LMNAALDH1A1
SCHEMBL9147927 0.70 ERN1 (0.48) KMT2AHTTMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115748-B Acetamide compounds as fungicides SYNGENTA PARTICIPATIONS AG 2011-06-08 CN disclosed
US-7956188-B2 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US disclosed
CN-101115748-A Acetamide compounds as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2008-01-30 CN disclosed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC KMT2A 66/4885HTT 4197/4885MEN1 2238/4885

“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.