SCHEMBL1502252

SCHEMBL1502252

CCOc1c([N+](=O)[O-])c(OCC)c([N+](=O)[O-])c(OCC)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MAPT P10636 7/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
POLB P06746 4/20 0.36
APAF1 O14727 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL30804568 0.86 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29242781 0.85 MAPT (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9694476 0.83 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1502289 0.81 MAPT (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29289254 0.78 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28334914 0.78 MAPT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3476285 0.78 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28045740 0.78 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27609737 0.78 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9461403 0.76 MAPT (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924915-A Continuous preparation method of 1,3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) 中国科学院大连化学物理研究所 2023-10-24 CN claimed
CN-115894246-A Method for continuously, safely and efficiently synthesizing 1,3, 5-triethoxy-2, 4,6 trinitrobenzene 南京理工大学 2023-04-04 CN claimed
CN-115108915-A Preparation method of 1,3, 5-triethoxy-2, 4, 6-trinitrobenzene 四川九原程新材料有限公司 2022-09-27 CN claimed
CN-106278770-A Hud typed binary explosive prepared by a kind of surface crystal seed absorption induced growth and preparation method thereof 中国工程物理研究院化工材料研究所 2017-01-04 CN claimed
CN-103408435-B Method for synthesizing TATB (triamino trinitrobenzene) by normal pressure phase-transfer catalysis and amination UNIV NANJING SCIENCE & TECH 2014-12-24 CN claimed
US-8030521-B2 Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2011-10-04 US claimed
US-20110172463-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE ALLIANT TECHSYSTEMS INC. (US) 2011-07-14 US claimed
US-7763753-B1 Methods for the production of 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2010-07-27 US claimed
CN-121202707-A Continuous flow production process of 1,3, 5-triamino-2, 4, 6-trinitrobenzene 新疆天链遥感科技有限公司 2025-12-26 CN disclosed
CN-116924915-A Continuous preparation method of 1,3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) 中国科学院大连化学物理研究所 2023-10-24 CN disclosed
CN-116924915-A Continuous preparation method of 1,3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) 中国科学院大连化学物理研究所 2023-10-24 CN disclosed
CN-116375583-A Preparation method of 1,3, 5-trialkoxy-2, 4, 6-trinitrobenzene 中国科学院大连化学物理研究所 2023-07-04 CN disclosed
CN-116143629-A Continuous alkylation method of trinitrophloroglucinol 中国科学院大连化学物理研究所 2023-05-23 CN disclosed
CN-115894246-A Method for continuously, safely and efficiently synthesizing 1,3, 5-triethoxy-2, 4,6 trinitrobenzene 南京理工大学 2023-04-04 CN disclosed
CN-102500292-A Preparation method of amino-containing energetic material graded microspheres BEIJING INST TECHNOLOGY 2012-06-20 CN disclosed
US-8030521-B2 Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2011-10-04 US disclosed
US-20110172463-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE ALLIANT TECHSYSTEMS INC. (US) 2011-07-14 US disclosed
US-7910776-B2 Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2011-03-22 US disclosed
US-20100317894-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE ALLIANT TECHSYSTEMS INC. (US) 2010-12-16 US disclosed
US-7763753-B1 Methods for the production of 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2010-07-27 US 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 (2 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-20110172463-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE TNK1, TNS4, TDO2 GRIN2D 3825/4885GRIN3B 2705/4885GRIN1 4442/4885
US-20100317894-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE TST, TH, FOSB GRIN2D 1545/4885GRIN3B 614/4885GRIN1 1771/4885

“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.