SCHEMBL971856

SCHEMBL971856

O=[N+]([O-])c1cccc(OC(F)F)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
HSPB1 P04792 1/20 0.41
GPR35 Q9HC97 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S100A4 P26447 2/20 0.37
PTPRC P08575 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8208233 0.83 TDP1 (0.48) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL1424469 0.82 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL29509634 0.81 HSPB1 (0.45) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL12480460 0.81 HSPB1 (0.45) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL12475795 0.80 TDP1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL846126 0.80 GPR35 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL9118851 0.80 TDP1 (0.43) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL18246234 0.78 DRD1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL1059260 0.77 ALDH1A1 (0.67) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL5699210 0.77 TDP1 (0.41) ALDH1A1TDP1NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524896-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
US-8524896-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
EP-2500340-A1 2-Cyanophenyl Sulfonamide Derivatives Useful as Pesticides Syngenta Participations AG. (CH) 2012-09-19 EP disclosed
EP-2500340-A1 2-Cyanophenyl Sulfonamide Derivatives Useful as Pesticides Syngenta Participations AG. (CH) 2012-09-19 EP disclosed
CN-101965332-A 2-cyanobenzenesulfonamide derivatives having pesticidal properties SYNGENTA CROP PROT INC 2011-02-02 CN disclosed
US-20110009261-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-13 US disclosed
US-20110009261-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-13 US disclosed
EP-2265579-A2 2-CYANOBENZENSULFONAMIDE DERIVATIVES HAVING PESTICIDAL PROPERTIES Syngenta Participations AG (CH) 2010-12-29 EP disclosed
US-20100311582-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
US-20100311582-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
EP-2231632-A2 2-CYANOPHENYL SULFONAMIDE DERIVATIVES USEFUL AS PESTICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009109539-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-09-11 WO disclosed
WO-2009109539-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-09-11 WO disclosed
WO-2009092590-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-30 WO disclosed
WO-2009092590-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-30 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 (2 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-20110009261-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CYCS ALDH1A1 3381/4885TDP1 3742/4885NPC1 1533/4885
US-20100311582-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CCNY ALDH1A1 3581/4885TDP1 4036/4885NPC1 787/4885

“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.