SCHEMBL3468949

SCHEMBL3468949

CNC(=N[N+](=O)[O-])NN=CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL3226475 0.74
SCHEMBL1783601 0.74
SCHEMBL3468951 0.72 LMNA (0.46) THRBLMNAMAPTALDH1A1GAA
SCHEMBL20768164 0.67 ALDH1A1 (0.35) LMNAALDH1A1
SCHEMBL25501670 0.66 CA5A (0.30)
SCHEMBL9511626 0.66 DPP4 (0.34)
SCHEMBL13943541 0.64 LMNA (0.36) LMNA
SCHEMBL13968000 0.64 LMNA (0.36) LMNAPOLB
SCHEMBL19161154 0.63 KDM1A (0.36) LMNAMAPTALDH1A1HTTMEN1
SCHEMBL21300744 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216324-B1 Condensed amino nitroguanidine compounds, synthesis and use as botanical insecticides thereof QIN ZHAOHAI (CN) 2013-03-13 EP disclosed
US-20110306639-A1 HYDROCARBYLIDENE NITROHYDROZINECARBOXIMIDAMIDES AND A METHOD FOR MAKING THE SAME, AS WELL AS THEIR USES AS AN INSECTICIDE QIN ZHAOHAI (CN) 2011-12-15 US disclosed
EP-2216324-A1 CONDENSED AMINO NITROGUANIDINE COMPOUNDS, SYNTHESIS AND USE AS BOTANICAL INSECTICIDES THEREOF Qin, ZhaoHai (CN) 2010-08-11 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-20110306639-A1 HYDROCARBYLIDENE NITROHYDROZINECARBOXIMIDAMIDES AND A METHOD FOR MAKING THE SAME, AS WELL AS THEIR USES AS AN INSECTICIDE CBR3, CBR1, HRH4 THRB 2015/4885LMNA 4598/4885MAPT 4695/4885

“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.