SCHEMBL7982094

SCHEMBL7982094

CN1CCNC1=N[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL7982091 1.00 MAPT (0.41) MAPTHTTCHRNB2CHRNA4
SCHEMBL3226313 1.00 MAPT (0.41) MAPTHTTCHRNB2CHRNA4
SCHEMBL11348502 0.89 CHRNB2 (0.35) MAPTHTTCHRNB2CHRNA4
SCHEMBL11348506 0.89 CHRNB2 (0.35) MAPTHTTCHRNB2CHRNA4
SCHEMBL7999647 0.77 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL2755013 0.77 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL7999644 0.77 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL10580540 0.75 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL10580544 0.75 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL2042132 0.74

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112132-A1 PESTICIDAL MIXTURES INCLUDING SPIROHETEROCYCLIC PYRROLIDINE DIONES SYNGENTA PARTICIPATIONS AG (CH) 2017-04-27 US disclosed
US-20170071203-A1 Active compound combinations having insecticidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 US disclosed
US-9560851-B2 Pesticidal mixtures including spiroheterocyclic pyrrolidine diones SYNGENTA PARTICIPATIONS AG (CH) 2017-02-07 US disclosed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
EP-0500952-B1 PROCESS FOR PRODUCING NITROGENOUS HETEROCYCLE NIPPON SODA CO (JP) 1999-03-03 EP disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5453529-A Nitroimino compound as intermediate for insecticides and pharmaceuticals NIPPON SODA CO., LTD. (JP) 1995-09-26 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
EP-0500952-A1 PROCESS FOR PRODUCING NITROGENOUS HETEROCYCLE NIPPON SODA CO., LTD. (JP) 1992-09-02 EP disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 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 (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-20170071203-A1 Active compound combinations having insecticidal properties ACHE, BCHE, DDT MAPT 2386/4885HTT 3921/4885CHRNB2 1194/4885
US-20170112132-A1 PESTICIDAL MIXTURES INCLUDING SPIROHETEROCYCLIC PYRROLIDINE DIONES DDT, ECH1, PLD1 MAPT 4740/4885HTT 3241/4885CHRNB2 2029/4885

“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.