SCHEMBL2194777

SCHEMBL2194777

O=[N+]([O-])N=C(NCC1CCOC1)NCC1CCOC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.34
GSK3B P49841 3/20 0.33
KCNH2 Q12809 3/20 0.33
MAPK1 P28482 1/20 0.31

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
Dinotefuran SCHEMBL237819 0.91 NAMPT (0.34) NAMPTGSK3BKCNH2
Dinotefuran SCHEMBL7762050 0.91 NAMPT (0.34) NAMPTGSK3BKCNH2
Dinotefuran SCHEMBL182310 0.91 NAMPT (0.34) NAMPTGSK3BKCNH2
Dinotefuran SCHEMBL26337 0.91 NAMPT (0.34) NAMPTGSK3BKCNH2
Dinotefuran SCHEMBL29992195 0.91 NAMPT (0.34) NAMPTGSK3BKCNH2
Dinotefuran SCHEMBL28442208 0.91 NAMPT (0.34) NAMPTGSK3BKCNH2
Dinotefuran SCHEMBL23070869 0.90 NAMPT (0.33) NAMPTGSK3BKCNH2
Dinotefuran SCHEMBL30985200 0.88 NAMPT (0.32) NAMPTGSK3BKCNH2
SCHEMBL3255311 0.88 GSK3B (0.31) NAMPTGSK3BKCNH2
SCHEMBL13872447 0.88 GSK3B (0.31) NAMPTGSK3BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400552-A A kind of synthesis preparation method of 2- nitro -1,3- bis- [(tetrahydro -3- furans) methyl] guanidine 江苏中谱检测有限公司 2019-03-01 CN claimed
CN-109400552-A A kind of synthesis preparation method of 2- nitro -1,3- bis- [(tetrahydro -3- furans) methyl] guanidine 江苏中谱检测有限公司 2019-03-01 CN disclosed
CN-109400552-A A kind of synthesis preparation method of 2- nitro -1,3- bis- [(tetrahydro -3- furans) methyl] guanidine 江苏中谱检测有限公司 2019-03-01 CN disclosed
EP-1985614-B1 IMPROVED METHOD FOR PRODUCING NITROGUANIDINE DERIVATIVE MITSUI CHEMICALS AGRO INC (JP) 2013-09-25 EP disclosed
US-7977496-B2 Process for producing nitroguanidine derivatives MITSUI CHEMICALS, INC. (JP) 2011-07-12 US disclosed
US-20090176990-A1 PROCESS FOR PRODUCING NITROGUANIDINE DERIVATIVES MITSUI CHEMICALS, INC. (JP) 2009-07-09 US disclosed
EP-1985614-A1 IMPROVED METHOD FOR PRODUCING NITROGUANIDINE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2008-10-29 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-20090176990-A1 PROCESS FOR PRODUCING NITROGUANIDINE DERIVATIVES NOS2, NOS1, NOS3 NAMPT 2261/4885GSK3B 3886/4885KCNH2 467/4885

“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.