SCHEMBL4387071

SCHEMBL4387071

CC1(C)CC(NCC(O)COC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ADRB2 P07550 2/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2163885 0.87 MEN1 (0.33) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL15468284 0.86 HTT (0.31) HTTSMN1; SMN2KDM4E
SCHEMBL26290593 0.84 GAA (0.36) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL13202049 0.82 MEN1 (0.33) MEN1KMT2AHTTKDM4E
SCHEMBL2025232 0.80 GAA (0.33) MEN1KMT2AHTTGAAL3MBTL1
SCHEMBL987956 0.78 MEN1 (0.33) MEN1KMT2AHTTGAAL3MBTL1
SCHEMBL5405789 0.78 KDM4E (0.32) MEN1KMT2AHTTKDM4E
SCHEMBL12468548 0.77 GAA (0.32) MEN1KMT2AHTTGAAL3MBTL1
SCHEMBL7211170 0.77 MEN1 (0.30) MEN1KMT2AHTT
SCHEMBL16623950 0.76 TSHR (0.39) MEN1KMT2AHTTKDM4EADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040736-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-02-09 US disclosed
US-11472790-B2 Dinitroxide biradical compounds as polarizing agents COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2022-10-18 US disclosed
US-20200148666-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-05-14 US disclosed
WO-2019007989-A9 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-12-26 WO disclosed
US-10414729-B2 Site-specific dynamic nuclear polarization NMR agents NORTH CAROLINA STATE UNIVERSITY (US) 2019-09-17 US disclosed
WO-2019007989-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-01-10 WO disclosed
EP-3424921-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2019-01-09 EP disclosed
US-20170029377-A1 SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS UNITED STATES DEPARTMENT OF ENERGY 2017-02-02 US disclosed
US-20170029377-A1 SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS UNITED STATES DEPARTMENT OF ENERGY 2017-02-02 US disclosed
US-20160195480-A1 NON AQUEOUS SOLVENTS OR MIXTURES FOR DNP NMR SPECTROSCOPY, METHOD TO PREPARE SAID SOLVENTS OR MIXTURES AND USE OF SAID SOLVENTS OR MIXTURES BRUKER BIOSPIN (FR) 2016-07-07 US disclosed
US-7985594-B2 Biradical polarizing agents for dynamic nuclear polarization MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-07-26 US disclosed
US-20090302842-A1 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECNOLOGY (US) 2009-12-10 US disclosed
US-20090302842-A1 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECNOLOGY (US) 2009-12-10 US disclosed
EP-2018545-A2 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-01-28 EP disclosed
WO-2008048714-A2 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-24 WO 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 (6 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-20090302842-A1 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION NUMA1, KPNA2, MEN1 MEN1 3/4885KMT2A 2365/4885HTT 2911/4885
US-11472790-B2 Dinitroxide biradical compounds as polarizing agents NDC1, NUCB2, MDM4 MEN1 473/4885KMT2A 4409/4885HTT 2506/4885
US-20200148666-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS NDC1, NUCB2, MDM4 MEN1 473/4885KMT2A 4409/4885HTT 2506/4885
US-20170029377-A1 SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS ADAR, HNRNPR, ANP32A MEN1 3872/4885KMT2A 3312/4885HTT 1689/4885
US-10414729-B2 Site-specific dynamic nuclear polarization NMR agents ADAR, HNRNPR, ANP32A MEN1 3872/4885KMT2A 3312/4885HTT 1689/4885
US-20230040736-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS NDC1, NUCB2, MDM4 MEN1 473/4885KMT2A 4409/4885HTT 2506/4885

“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.