SCHEMBL236408

SCHEMBL236408

CN1COCN(Cc2ccc(Cl)nc2)C1=N[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CHRNA7 P36544 4/20 0.44
CHRNA1 P02708 3/20 0.44
CHRNA3 P32297 2/20 0.44
CASP6 P55212 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29578091 1.00 CHRNB2 (0.49) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9403865 1.00 CHRNB2 (0.49) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7172981 0.90 CHRNB2 (0.48) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29578118 0.87 CHRM1 (0.36) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL420648 0.87 CHRM1 (0.36) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL234081 0.86 CHRNB2 (0.35) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL237645 0.86 CHRNB2 (0.35) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL237657 0.86 CHRNB2 (0.35) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8700767 0.86 CASP6 (0.45) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9826625 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022053-A1 Oxadiazine Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2012-01-26 US claimed
US-7836630-B2 Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY LLC (US) 2010-11-23 US claimed
US-20100179196-A1 COMPOSITIONS AND METHODS FOR DEPLOYING A TRANSGENIC REFUGE AS A SEED BLEND PERSHING JAY C 2010-07-15 US claimed
EP-1566996-B1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2009-11-11 EP claimed
US-20070219188-A1 Oxadiazine Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-09-20 US claimed
WO-2004049778-A9 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2005-09-22 WO claimed
US-20050197251-A1 Method of controlling the release of agricultural active ingredients from treated plant seeds MONSANTO TECHNOLOGY, L.L.C. (US) 2005-09-08 US claimed
EP-1566996-A1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT Monsanto Technology LLC (US) 2005-08-31 EP claimed
US-6884755-B2 Pesticidal composition SYNGENTA CROP PROTECTION, INC. (US) 2005-04-26 US claimed
US-20040259732-A1 Treatment of plants and plant propagation materials with an antioxidant to improve plant health and/or yield MONSANTO TECHNOLOGY, L.L.C. 2004-12-23 US claimed
US-20030018992-A1 Method for reducing pest damage to corn by treating transgenic corn seeds with pesticide MONSANTO TECHNOLOGY, L.L.C. 2003-01-23 US claimed
WO-2002080675-A1 TREATED PLANT SEEDS WITH CONTROLLED RELEASE OF ACTIVE AGENTS MONSANTO TECHNOLOGY, LLC (US) 2002-10-17 WO claimed
US-20020134012-A1 Method of controlling the release of agricultural active ingredients from treated plant seeds MONSANTO TECHNOLOGY, L.L.C. 2002-09-26 US claimed
US-20020115565-A1 Seed treatment with combinations of insecticides MONSANTO TECHNOLOGY, L.L.C. 2002-08-22 US claimed
WO-2002030205-A2 TREATMENT OF TRANSGENIC CORN SEEDS WITH PESTICIDES MONSANTO TECHNOLOGY, LLC (US) 2002-04-18 WO claimed
WO-2002028186-A2 SEED TREATMENT WITH COMBINATIONS OF INSECTICIDES MONSANTO TECHNOLOGY, LLC (US) 2002-04-11 WO claimed
EP-0874549-B1 METHOD OF CONTROLLING FISH PARASITES NOVARTIS AG (CH) 2001-12-12 EP claimed
US-5852012-A Oxadiazine derivatives NOVARTIS CORPORATION (US) 1998-12-22 US claimed
WO-1997015192-A1 1,3,5-OXADIAZINES AS MOLLUSCICIDES NOVARTIS AG (CH) 1997-05-01 WO claimed
EP-0580553-A2 Oxadiazine derivatives CIBA-GEIGY AG (CH) 1994-01-26 EP claimed

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-20070219188-A1 Oxadiazine Derivatives CBR3, AOC3, AOC2 CHRNB2 1127/4885CHRNA4 1839/4885ALDH1A1 1694/4885
US-20120022053-A1 Oxadiazine Derivatives CBR3, AOC3, AOC2 CHRNB2 1127/4885CHRNA4 1839/4885ALDH1A1 1694/4885

“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.