SCHEMBL940435

SCHEMBL940435

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ TTR P02766 1/20 0.63
▸ PPOX P50336 1/20 0.63
▸ FFAR1 O14842 5/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PYGL P06737 1/20 0.36
▸ HPGD P15428 1/20 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
SCHEMBL940437 1.00 TDP1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL940434 1.00 TDP1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10377437 0.91 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10729150 0.91 MEN1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379212 0.89 MEN1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10728482 0.89 MEN1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10728481 0.88 MEN1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10377739 0.88 MEN1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL203524 0.88 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL203525 0.88 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX

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
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 — — US disclosed
US-8420570-B2 Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihydroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulations BAYER CROPSCIENCE AG (DE) 2013-04-16 — — US disclosed
US-8158557-B2 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE AG (DE) 2012-04-17 — — US disclosed
US-20110009263-A1 SELECTED SALTS OF 3-(5,6-DIHYDRO-1,4,2-DIOXAZIN-3-YL)-N-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)CARBAMOYL]PYRIDINE-2-SULFONAMIDE, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-01-13 — — US disclosed
US-20110009264-A1 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2011-01-13 — — US disclosed
US-20100255988-A1 Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihydroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulations BAYER CROPSCIENCE AG (DE) 2010-10-07 — — US disclosed
EP-1449434-B1 Liquid pesticide composition NISSAN CHEMICAL IND LTD (JP) 2005-11-02 — — EP 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 (4 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-20110009264-A1 HERBICIDAL COMBINATION DDT, AADAC, CYP1B1 TDP1 2981/4885MEN1 4350/4885KMT2A 465/4885
US-20110009263-A1 SELECTED SALTS OF 3-(5,6-DIHYDRO-1,4,2-DIOXAZIN-3-YL)-N-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)CARBAMOYL]PYRIDINE-2-SULFONAMIDE, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, DYRK4, SLTM TDP1 2761/4885MEN1 4589/4885KMT2A 228/4885
US-20100255988-A1 Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihydroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulations STS, CYP4X1, DDT TDP1 4129/4885MEN1 4717/4885KMT2A 1792/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER TDP1 1495/4885MEN1 2634/4885KMT2A 2630/4885

“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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