SCHEMBL2809126

SCHEMBL2809126

COCC(=NOCC(=O)O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ TTR P02766 1/20 0.66
▸ PPOX P50336 1/20 0.66
▸ FFAR1 O14842 5/20 0.48
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PYGL P06737 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL203525 1.00 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL203524 1.00 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29908511 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29414031 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29392315 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8187095 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8187092 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379059 0.90 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL4099716 0.89 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10698300 0.89 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 — — US disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 — — US disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 — — US disclosed
US-8895471-B2 Chiral3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1h-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihyddroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-11-25 — — US disclosed
US-8754234-B2 Chiral 2-(benzylsulfinyl)thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-06-17 — — US disclosed
US-20130316904-A1 Chiral3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1h-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihyddroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2013-11-28 — — US disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 — — US disclosed
US-8076268-B2 Liquid formulations containing dialkyl sulfosuccinate and hydroxyphenylpyruvate dioxygenase inhibitors BAYER CROPSCIENCE AG (DE) 2011-12-13 — — US disclosed
US-20100323894-A1 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2010-12-23 — — US disclosed
US-20100317517-A1 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-12-16 — — US disclosed
EP-0860441-A1 Herbicidal derivatives of 1,4-dithiino(2,3c)benzothiopyran E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-26 — — EP disclosed
US-5633218-A CONTROLLING WEEDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-27 — — US disclosed
US-5631210-A Herbicidal thiophene ketones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-20 — — US disclosed
EP-0765324-A1 CYCLIC SULFONAMIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-04-02 — — EP disclosed
WO-1997003045-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-30 — — WO disclosed
WO-1997001550-A1 HERBICIDAL KETALS AND SPIROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 — — WO disclosed
WO-1995033746-A1 CYCLIC SULFONAMIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-14 — — WO disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 — — US disclosed
US-5446013-A 2-alkyl-or-aryl-substituted-2-(pyrimidinyl-or-traizinyl-oxy(or-thio))-acotic acid derivatives, process for preparation, and use as herbicides or plant-growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-29 — — US disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 — — 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 (5 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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 MEN1 2485/4885KMT2A 1733/4885TDP1 1973/4885
US-20130316904-A1 Chiral3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1h-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihyddroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulators STS, CYP4X1, DHRS9 MEN1 4627/4885KMT2A 1686/4885TDP1 4265/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 MEN1 4245/4885KMT2A 720/4885TDP1 1945/4885
US-20100323894-A1 HERBICIDAL COMBINATION DDT, CYP4B1, CYP1B1 MEN1 3308/4885KMT2A 259/4885TDP1 2643/4885
US-20100317517-A1 HERBICIDE-SAFENER COMBINATION DDT, CIP2A, IDH2 MEN1 3501/4885KMT2A 374/4885TDP1 950/4885

“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.

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