SCHEMBL3164776

SCHEMBL3164776

C=CCNC(N)=N[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ATG4B Q9Y4P1 1/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 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
SCHEMBL14344842 0.74
SCHEMBL21597311 0.74
SCHEMBL22765153 0.72 NOS1 (0.36) ALDH1A1KMT2ALMNA
SCHEMBL4913591 0.71 LMNA (0.33) LMNA
SCHEMBL4913584 0.71 LMNA (0.33) LMNA
Nitric Acid SCHEMBL7103201 0.71 ALDH1A1 (0.43) ALDH1A1TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL28377793 0.71 LMNA (0.39) KMT2ASMN1; SMN2ATG4BLMNAKDM4E
SCHEMBL14220423 0.71 LMNA (0.39) KMT2ASMN1; SMN2ATG4BLMNAKDM4E
SCHEMBL625299 0.70
SCHEMBL8215011 0.69 KMT2A (0.50) ALDH1A1TSHRKMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133468-B1 METHOD OF PRODUCING N-ALKYL-N'-NITROGUANIDINE DYNAMIT NOBEL AG (DE) 2003-08-20 EP claimed
EP-0971886-B1 METHOD FOR PRODUCING N-ALKYL-N'-NITROGUANIDINES BAYER CROPSCIENCE AG (DE) 2003-01-15 EP claimed
US-6384277-B1 Method of producing N-alkyl-N′-nitroguanidine DYNAMIT NOBEL GMBH EXPLOSIVSTOFF- UND SYSTEMTECHNIK (DE) 2002-05-07 US claimed
EP-1133468-A1 METHOD OF PRODUCING N-ALKYL-N'-NITROGUANIDINE Dynamit Nobel GmbH Explosivstoff- und Systemtechnik (DE) 2001-09-19 EP claimed
US-6114581-A Method for producing N-alkyl-N'-nitroguanidines BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US claimed
WO-2000031025-A1 METHOD OF PRODUCING N-ALKYL-N'-NITROGUANIDINE DYNAMIT NOBEL GMBH EXPLOSIVSTOFF- UND SYSTEMTECHNIK (DE) 2000-06-02 WO claimed
EP-0971886-A1 METHOD FOR PRODUCING N-ALKYL-N'-NITROGUANIDINES BAYER AG (DE) 2000-01-19 EP claimed
WO-1998043951-A1 METHOD FOR PRODUCING N-ALKYL-N'-NITROGUANIDINES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-08 WO claimed
US-7763640-B2 Substituted oxyguanidines BAYER CORPSCIENCE AG (DE) 2010-07-27 US disclosed
EP-2184280-A1 Substituted oxyguanidines Bayer CropScience AG (DE) 2010-05-12 EP disclosed
US-20080312297-A1 Substituted Oxyguanidines BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
EP-1819685-A1 SUBSTITUTED OXYGUANIDINES Bayer CropScience AG (DE) 2007-08-22 EP disclosed
WO-2006056333-A1 SUBSTITUTED OXYGUANIDINES BAYER CROPSCIENCE AG (DE) 2006-06-01 WO disclosed
CN-1207279-C Process for preparing N-alkyl-N' -nitroguanidines DYNAMIT NOBEL EXPLOSIVSTOFF UN (DE) 2005-06-22 CN disclosed
CN-1251089-A Method for producing N-alkyl-N'-nitroguanidines BAYER AG (DE) 2000-04-19 CN disclosed
CN-1251089-A Method for producing N-alkyl-N'-nitroguanidines BAYER AG (DE) 2000-04-19 CN disclosed
EP-0971886-A1 METHOD FOR PRODUCING N-ALKYL-N'-NITROGUANIDINES BAYER AG (DE) 2000-01-19 EP disclosed
EP-0971886-A1 METHOD FOR PRODUCING N-ALKYL-N'-NITROGUANIDINES BAYER AG (DE) 2000-01-19 EP disclosed
WO-1998043951-A1 METHOD FOR PRODUCING N-ALKYL-N'-NITROGUANIDINES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-08 WO disclosed
WO-1998043951-A1 METHOD FOR PRODUCING N-ALKYL-N'-NITROGUANIDINES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-08 WO 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-20080312297-A1 Substituted Oxyguanidines OGA, CAT, OGG1 ALDH1A1 1777/4885TSHR 1627/4885KMT2A 2797/4885

“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.