SCHEMBL7780473

SCHEMBL7780473

Cn1nc([N+](=O)[O-])c(N)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.35
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 3/20 0.34
MITF O75030 1/20 0.34
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 5/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
GRK5 P34947 1/20 0.32
LIMK1 P53667 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
SCHEMBL2458220 0.78 PKM (0.44) PKMKDM4EMAPTSMN1; SMN2HTT
SCHEMBL28507244 0.78 PKM (0.32) PKMLMNA
SCHEMBL7778311 0.76 PKM (0.35) PKMKDM4EMAPTSMN1; SMN2HTT
SCHEMBL30724548 0.76 PKM (0.32) PKM
SCHEMBL28848233 0.76 ALDH1A1 (0.43) PKMKDM4EMAPTSMN1; SMN2HTT
SCHEMBL18420239 0.74 LMNA (0.35) PKMSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL7778351 0.73 ALDH1A1 (0.42) PKMKDM4EMAPTSMN1; SMN2HTT
SCHEMBL28903969 0.72 LMNA (0.33) ALDH1A1LMNAATML3MBTL1
SCHEMBL29091845 0.72
SCHEMBL28849782 0.71 L3MBTL1 (0.38) MAPTSMN1; SMN2HTTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619882-A Synthesis method of 1-methyl-3, 4, 5-trinitropyrazole MTNP 中北大学 2024-09-10 CN claimed
CN-120118035-A Synthesis method of 1-methyl-3, 4, 5-trinitropyrazole 西南科技大学 2025-06-10 CN disclosed
CN-118619882-A Synthesis method of 1-methyl-3, 4, 5-trinitropyrazole MTNP 中北大学 2024-09-10 CN disclosed
CN-118619882-A Synthesis method of 1-methyl-3, 4, 5-trinitropyrazole MTNP 中北大学 2024-09-10 CN disclosed
US-8440839-B2 Dinitropyrazole derivatives, their preparation, and energetic compositions comprising them HERAKLES (FR) 2013-05-14 US disclosed
US-20120323017-A1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM EURENCO (FR) 2012-12-20 US disclosed
EP-0786244-B1 Oxidation hair-dye comprising 3,4,5 triaminopyrazole derivatives, and novel 3,4,5 triaminopyrazole derivatives WELLA AG (DE) 2001-09-19 EP disclosed
US-5766576-A NONTOXIC DYE DEVELOPER; WASHFASTNESS, COLORFASTNESS, RED COLOR INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
EP-0786244-A1 Oxidation hair-dye comprising 3,4,5 triaminopyrazole derivatives, and novel 3,4,5 triaminopyrazole derivatives Wella Aktiengesellschaft (DE) 1997-07-30 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-20120323017-A1 DINITROPYRAZOLE DERIVATIVES, THEIR PREPARATION, AND ENERGETIC COMPOSITIONS COMPRISING THEM NFE2L2, NFE2, RELA PKM 1669/4885KDM4E 3291/4885MAPT 3354/4885

“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.