Sugi Predict

Sugi Predict / Compounds / SCHEMBL1502237

SCHEMBL1502237

SCHEMBL1502237

COc1c([N+](=O)[O-])c(OC)c([N+](=O)[O-])c(OC)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ GRIN2D O15399 3/20 0.42
▸ GRIN3B O60391 3/20 0.42
▸ GRIN1 Q05586 3/20 0.42
▸ GRIN2A Q12879 3/20 0.42
▸ GRIN2B Q13224 3/20 0.42
▸ GRIN2C Q14957 3/20 0.42
▸ GRIN3A Q8TCU5 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL1502447 0.88 SMN1; SMN2 (0.50) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL28694251 0.88 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL1502073 0.88 SMN1; SMN2 (0.50) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL28688869 0.88 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL28700863 0.88 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL5639369 0.83 TSHR (0.46) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL30673517 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL1502446 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL1502035 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TDP1ALDH1A1PKMTSHR
SCHEMBL28695104 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527104-A Preparation method of 1,3, 5-trimethoxy-2, 4, 6-trinitrobenzene 四川微化盛华智能装备有限公司 2021-10-22 — — CN claimed
US-7910776-B2 Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2011-03-22 — — US claimed
US-20100317894-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE ALLIANT TECHSYSTEMS INC. (US) 2010-12-16 — — 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
US-7737308-B1 Methods for nitrating compounds ALLIANT TECHSYSTEMS INC. (US) 2010-06-15 — — US claimed
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-113527105-A Preparation method of 1,3, 5-trialkoxy-2, 4, 6-trinitrobenzene 四川微化盛华智能装备有限公司 2021-10-22 — — CN disclosed
CN-113527105-A Preparation method of 1,3, 5-trialkoxy-2, 4, 6-trinitrobenzene 四川微化盛华智能装备有限公司 2021-10-22 — — CN disclosed
CN-113527104-A Preparation method of 1,3, 5-trimethoxy-2, 4, 6-trinitrobenzene 四川微化盛华智能装备有限公司 2021-10-22 — — CN disclosed
CN-113527104-A Preparation method of 1,3, 5-trimethoxy-2, 4, 6-trinitrobenzene 四川微化盛华智能装备有限公司 2021-10-22 — — CN disclosed
CN-113527104-A Preparation method of 1,3, 5-trimethoxy-2, 4, 6-trinitrobenzene 四川微化盛华智能装备有限公司 2021-10-22 — — CN 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-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
US-7737308-B1 Methods for nitrating compounds ALLIANT TECHSYSTEMS INC. (US) 2010-06-15 — — US disclosed
US-7737308-B1 Methods for nitrating compounds ALLIANT TECHSYSTEMS INC. (US) 2010-06-15 — — US disclosed
US-7737308-B1 Methods for nitrating compounds ALLIANT TECHSYSTEMS INC. (US) 2010-06-15 — — US disclosed
US-7057073-B2 Synthesis of trinitrophloroglucinol and triaminotrinitrobenzene (TATB) REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-06 — — US disclosed
US-20050070743-A1 Synthesis of trinitrophloroglucinol and triaminotrinitrobenzene (TATB) LAWRENCE LIVERMORE NATIONAL SECURITY, LLC 2005-03-31 — — 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 (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-20100317894-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE TST, TH, FOSB SMN1; SMN2 4699/4885TDP1 826/4885ALDH1A1 974/4885

“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.