SCHEMBL5872431

SCHEMBL5872431

CC(C)(CNCCCCCCCCCCCCNCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL9175764 1.00 CHRM2 (0.34) CHRM2ALDH1A1MAOAMAOB
SCHEMBL9814480 1.00 CHRM2 (0.34) CHRM2ALDH1A1MAOAMAOB
SCHEMBL9814471 1.00 CHRM2 (0.34) CHRM2ALDH1A1MAOAMAOB
SCHEMBL1279123 1.00 CHRM2 (0.34) CHRM2ALDH1A1MAOAMAOB
SCHEMBL8713535 0.98 ALDH1A1 (0.35) CHRM2ALDH1A1
SCHEMBL9814556 0.93 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10518927 0.92 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9292353 0.89 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9293201 0.85 CA12 (0.36) ALDH1A1
SCHEMBL1989571 0.84 ALDH1A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109259-B2 Piperazinone derivatives CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-09-19 US disclosed
US-20030027902-A1 Piperazinone derivatives LAZZARI DARIO (IT) 2003-02-06 US disclosed
EP-0514876-B1 Rubber composition suitable for automobile tires and its production SUMITOMO CHEMICAL CO (JP) 1998-10-14 EP disclosed
US-5362785-A Dinitrodiamine, sulfide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-08 US disclosed
EP-0391733-B1 Thermoplastic resin composition SUMITOMO CHEMICAL CO (JP) 1994-10-05 EP disclosed
EP-0394016-B1 Resin composition SUMITOMO CHEMICAL CO (JP) 1994-08-31 EP disclosed
EP-0345594-B1 Method for improving properties of vulcanized rubber containing inorganic whity filler SUMITOMO CHEMICAL CO (JP) 1994-08-10 EP disclosed
EP-0410152-B1 Rubber composition having excellent dynamic properties SUMITOMO CHEMICAL CO (JP) 1994-02-23 EP disclosed
US-5218025-A Blending natural or synthetic rubber, white carbon, a dinitrodiamine vulcanization accelorator and vulcanizing agent and vulcanizing SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-08 US disclosed
EP-0514876-A1 Rubber composition suitable for automobile tires and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-11-25 EP disclosed
US-5109055-A Blend with a dinitrodiamine compound with n-(cyclohexylthio)-phthalimide and(or) 2,3,5,6-tetrachloro-1,4-benzoqionone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-28 US disclosed
EP-0253365-B1 RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-27 EP disclosed
EP-0410152-A1 Rubber composition having excellent dynamic properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-30 EP disclosed
EP-0394016-A2 Resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-24 EP disclosed
EP-0345594-A2 Method for improving properties of vulcanized rubber containing inorganic whity filler SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-13 EP disclosed
EP-0332052-A2 Method for improving rubber vibration isolator properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-09-13 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 (1 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-20030027902-A1 Piperazinone derivatives H1-4, EIF4G1, GPX4 CHRM2 1441/4885ALDH1A1 94/4885MAOA 2102/4885

“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.