SCHEMBL4017052

SCHEMBL4017052

CNc1c(Br)cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HIF1A Q16665 1/20 0.51
TXNRD1 Q16881 1/20 0.51
TXNRD3 Q86VQ6 1/20 0.51
TXNRD2 Q9NNW7 1/20 0.51
MAPK1 P28482 5/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PTPN5 P54829 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL9952302 0.89 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL8432359 0.84 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL15935621 0.84 MAPK1 (0.49) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL15220186 0.82 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL12246095 0.82 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL9952880 0.81 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL11588749 0.79 MEN1 (0.56) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL30577361 0.79 MEN1 (0.37) ALDH1A1TXNRD1MAPK1MAPTPOLB
SCHEMBL29751711 0.79 MEN1 (0.41) ALDH1A1TDP1CYP3A4MAPK1MAPT
SCHEMBL9341566 0.78 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRHPGD

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112021322-B Compositions and methods for controlling pests 住友化学株式会社 2022-04-01 CN disclosed
CN-112021322-A Compositions and methods for controlling pests 住友化学株式会社 2020-12-04 CN disclosed
EP-2952099-B1 PEST-CONTROL COMPOSITION AND PEST-CONTROL METHOD SUMITOMO CHEMICAL CO (JP) 2018-10-17 EP disclosed
EP-2952097-B1 PEST-CONTROL COMPOSITION AND PEST-CONTROL METHOD SUMITOMO CHEMICAL CO (JP) 2018-10-10 EP disclosed
EP-2952100-B1 PEST-CONTROL COMPOSITION AND PEST-CONTROL METHOD SUMITOMO CHEMICAL CO (JP) 2018-10-10 EP disclosed
US-9974307-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 US disclosed
US-9974307-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 US disclosed
US-9883675-B2 Method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-06 US disclosed
US-9883675-B2 Method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-06 US disclosed
US-9854805-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-10 US disclosed
US-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-10 US disclosed
EP-2739624-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2014-06-11 EP disclosed
WO-2013018928-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 WO disclosed
WO-2013018928-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 WO disclosed
EP-1699453-A4 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-07-01 EP disclosed
US-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 US disclosed
EP-1699453-A1 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2006-09-13 EP disclosed
WO-2005065680-A1 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2005-07-21 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-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR0B1, NR4A1, NR2C2 ALDH1A1 1699/4885TDP1 4380/4885CYP3A4 307/4885
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG ALDH1A1 3777/4885TDP1 2793/4885CYP3A4 3967/4885

“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.