SCHEMBL1926191

SCHEMBL1926191

Oc1cc(I)c2ncc(Br)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.33
DYRK1B Q9Y463 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL2319709 0.81 TET2 (0.32)
SCHEMBL533275 0.81 PRNP (0.42) DYRK1ADYRK1BHTTLMNAPRNP
SCHEMBL5232713 0.78 DYRK1A (0.33) DYRK1AHTTKMT2A
SCHEMBL1928507 0.78 DYRK1A (0.40) DYRK1ADYRK1BHTTLMNAKMT2A
SCHEMBL534734 0.78 PLAU (0.39) DYRK1ADYRK1BHTTLMNAPRNP
SCHEMBL1927586 0.78 ESR1 (0.33) DYRK1ADYRK1BHTTLMNAPRNP
SCHEMBL534655 0.78 HTT (0.40) DYRK1ADYRK1BHTTLMNAPRNP
SCHEMBL3100730 0.74 ESR1 (0.33) DYRK1AHTTLMNAPRNPHPGD
SCHEMBL31716251 0.73 DYRK1A (0.34) DYRK1AHTTKMT2A
SCHEMBL1928088 0.71 KMT2A (0.43) HTTLMNAHPGDKMT2A

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 DYRK1A 2692/4885DYRK1B 3169/4885HTT 4197/4885

“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.