SCHEMBL4099716

SCHEMBL4099716

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ TTR P02766 1/20 0.65
▸ PPOX P50336 1/20 0.65
▸ FFAR1 O14842 5/20 0.44
▸ LMNA P02545 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ PYGL P06737 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 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
SCHEMBL8131595 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7069192 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL203525 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL203524 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2809126 0.89 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2477154 0.88 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29414031 0.88 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29392315 0.88 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8187095 0.88 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29908511 0.88 MEN1 (0.62) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829437-B Use of hydroxyaromatic compounds as safeners BAYER CROPSCIENCE GMBH 2011-03-30 — — CN disclosed
CN-101421254-A Diamino-1,3,5-triazines N-substituted with bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2009-04-29 — — CN disclosed
US-20090062120-A1 Agrochemical Composition CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-03-05 — — US disclosed
US-20050282707-A1 Pyridinylisoxazoles and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2005-12-22 — — US disclosed
EP-1449434-A1 Liquid pesticide composition Nissan Chemical Industries, Ltd. (JP) 2004-08-25 — — EP disclosed
US-6645916-B1 Pre- or postemergent herbicides for crops HOECHST SCHERING AGREVO GMBH (DE) 2003-11-11 — — US disclosed
US-20030203820-A1 2,4-diamino-1,3,5-triazines, their preparation and their use as herbicides and plant growth regulators ZINDEL JURGEN (DE) 2003-10-30 — — US disclosed
US-6410483-B1 CONTROLLING WEEDS, GRASSES; COMPOUND CONTAINING PYRIMIDINE RING HOECHST SCHERING AGREVO GMBH (DE) 2002-06-25 — — US 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 (3 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-20090062120-A1 Agrochemical Composition GGPS1, MCCC2, CAP1 MEN1 3991/4885KMT2A 2188/4885TDP1 2952/4885
US-20030203820-A1 2,4-diamino-1,3,5-triazines, their preparation and their use as herbicides and plant growth regulators DAZAP1, DDT, DCUN1D5 MEN1 3623/4885KMT2A 254/4885TDP1 2166/4885
US-20050282707-A1 Pyridinylisoxazoles and their use as herbicides PRDX1, CYP4X1, PRDX4 MEN1 3509/4885KMT2A 1815/4885TDP1 1229/4885

“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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