Sugi Predict

Sugi Predict / Compounds / SCHEMBL64072

SCHEMBL64072

SCHEMBL64072

O=[N+]([O-])c1c[nH]c([N+](=O)[O-])n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ NOS1 P29475 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ APEX1 P27695 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
SCHEMBL28013221 0.98 CYP3A4 (0.32) CYP3A4ALDH1A1NAMPTXDHKDM4E
SCHEMBL27960253 0.98 CYP3A4 (0.32) CYP3A4ALDH1A1NAMPTXDHKDM4E
SCHEMBL28819045 0.98 CYP3A4 (0.32) CYP3A4ALDH1A1NAMPTXDHKDM4E
SCHEMBL28013804 0.98 CYP3A4 (0.32) CYP3A4ALDH1A1NAMPTXDHKDM4E
Dimethylamine SCHEMBL29101974 0.92 SMN1; SMN2 (0.38) CYP3A4ALDH1A1NAMPTXDHKDM4E
SCHEMBL28920099 0.81 ALDH1A1 (0.33) CYP3A4ALDH1A1NAMPTXDHKDM4E
SCHEMBL9627673 0.79 — —
SCHEMBL1853410 0.77 — —
SCHEMBL2302179 0.77 — —
SCHEMBL3607269 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024248496-A1 ADHESIVE MATERIAL COMPOSITION OF FLEXIBLE SUBSTRATE FOR AUTOMOTIVE ELECTRONIC PARTS 오컴퍼니 주식회사 2024-12-05 — — WO claimed
CN-118639282-B Tin spraying solution, preparation method thereof and application of tin spraying solution in spraying process 昆山一鼎工业科技有限公司 2024-11-26 — — CN claimed
CN-118639282-A Tin spraying solution, preparation method thereof and application of tin spraying solution in spraying process 昆山一鼎工业科技有限公司 2024-09-13 — — CN claimed
CN-117779130-B Wafer electroplated tungsten alloy solution, preparation method and electroplating method 昆山一鼎工业科技有限公司 2024-05-31 — — CN claimed
CN-117903454-A NEMOFs material containing bisoxazole ligand and preparation method thereof 湖北航天化学技术研究所 2024-04-19 — — CN claimed
CN-117658991-A Abnormal-shape difunctional crosslinking agent and preparation method and application thereof 南昌大学 2024-03-08 — — CN claimed
CN-109251115-B Energetic functionalized graphene oxide and preparation method thereof 浙江工业大学 2021-10-15 — — CN claimed
CN-110300810-A The separation of rare earth metal 英国贝尔法斯特女王大学 2019-10-01 — — CN claimed
US-10125058-B1 Encapsulated, particulate energetic composition and the making of same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-11-13 — — US claimed
US-9746300-B1 Voltage induced porosity in insensitive munition THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2017-08-29 — — US claimed
US-6603018-B2 Rockets; propullants ALLIANT TECHSYSTEMS INC. 2003-08-05 — — US claimed
US-20020156291-A1 Process for the synthesis and recovery of nitramines ORBITAL ATK, INC. (F/K/A ALLIANT TECHSYSTEMS INC.) 2002-10-24 — — US claimed
WO-2002060881-A1 PROCESS FOR THE SYNTHESIS AND RECOVERY OF NITRAMINES ALLIANT TECHSYSTEMS INC. (US) 2002-08-08 — — WO claimed
US-5387297-A 2,4-dinitroimidazole- a less sensitive explosive and propellant made by thermal rearrangement of molten 1,4 dinitroimidazole THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1995-02-07 — — US claimed
EP-0293742-B1 PROCESS FOR THE PRODUCTION OF 4-NITRO-5-IMIDAZOLYLETHERS AND -THIOETHERS BASF Aktiengesellschaft (DE) 1992-07-22 — — EP claimed
US-4900825-A REACTING DINITROIMIDAZOLES WITH ALCOHOLS OR MERCAPTANS BASF AKTIENGSELLSCHAFT (DE) 1990-02-13 — — US claimed
EP-0348803-A1 Process for the preparation of 5-cyano-4-nitroimidazoles BASF Aktiengesellschaft (DE) 1990-01-03 — — EP claimed
EP-0337255-A1 Process for the preparation of 4-nitro-5-aminoimidazoles BASF Aktiengesellschaft (DE) 1989-10-18 — — EP claimed
EP-0293742-A1 Process for the production of 4-nitro-5-imidazolylethers and -thioethers BASF Aktiengesellschaft (DE) 1988-12-07 — — EP claimed
US-4300962-A Ammonium nitrate explosive systems THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1981-11-17 — — US claimed

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-20020156291-A1 Process for the synthesis and recovery of nitramines NNMT, PNMT, NISCH CYP3A4 312/4885ALDH1A1 4427/4885NAMPT 138/4885

“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.