Sugi Predict

Sugi Predict / Compounds / SCHEMBL12486687

SCHEMBL12486687

SCHEMBL12486687

CCO[Si](CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ MAPT P10636 9/20 0.48
▸ MAPK1 P28482 8/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HCAR3 P49019 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ L3MBTL1 Q9Y468 5/20 0.46
▸ LMNA P02545 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL31045644 1.00 CRHBP (0.52) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL8810869 0.82 HCAR3 (0.68) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL1558414 0.81 CRHBP (0.48) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL303646 0.78 MAPT (0.63) CRHBPCRHR2MAPTMAPK1SMN1; SMN2
SCHEMBL29351451 0.78 MAPT (0.63) CRHBPCRHR2MAPTMAPK1SMN1; SMN2
SCHEMBL10089736 0.75 CRHBP (0.68) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL8673641 0.74 HCAR3 (0.66) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL2717483 0.74 CRHBP (0.46) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL9140856 0.74 CRHBP (0.60) CRHBPCRHR2MAPTMAPK1TDP1
Ethylamine SCHEMBL5152975 0.74 MAPT (0.50) MAPTMAPK1TDP1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200370033-A1 BIOLOGICAL ASSEMBLY INCLUDING BIOLOGICAL COMPONENT AND SHIELD REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-11-26 — — US claimed
US-9790484-B2 Silica encapsulated biomaterials REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-17 — — US claimed
US-9427408-B2 Silica-matrix forming compositions, materials formed therefrom, and methods of using the same Kasinkas, Lisa (US) 2016-08-30 — — US claimed
EP-3046547-A1 CORE AND SURFACE MODIFICATION OF MESOPOROUS SILICA NANOPARTICLES TO ACHIEVE CELL SPECIFIC TARGETING IN VIVO STC.UNM (US) 2016-07-27 — — EP claimed
WO-2015042268-A1 CORE AND SURFACE MODIFICATION OF MESOPOROUS SILICA NANOPARTICLES TO ACHIEVE CELL SPECIFIC TARGETING IN VIVO STC.UNM (US) 2015-03-26 — — WO claimed
US-20140302130-A1 SILICA-MATRIX FORMING COMPOSITIONS, MATERIALS FORMED THEREFROM, AND METHODS OF USING THE SAME KASINKAS, Lisa 2014-10-09 — — US claimed
WO-2013070778-A1 SILICA-MATRIX FORMING COMPOSITIONS, MATERIALS FORMED THEREFROM, AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-16 — — WO claimed
US-11344629-B2 Active targeting of cells by monosized protocells BRINKER CHARLES JEFFREY (US) 2022-05-31 — — US disclosed
US-20200370033-A1 BIOLOGICAL ASSEMBLY INCLUDING BIOLOGICAL COMPONENT AND SHIELD REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-11-26 — — US disclosed
WO-2018160865-A1 ACTIVE TARGETING OF CELLS BY MONOSIZED PROTOCELLS BRINKER CHARLES JEFFREY (US) 2018-09-07 — — WO disclosed
US-20170225967-A1 Use of Magnetic Mesoporous Silica Nanoparticles For Removing Uranium From Media SAVANNAH RIVER NUCLEAR SOLUTIONS, LLC 2017-08-10 — — US disclosed
US-9567265-B2 Catalysts and methods of using the same IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2017-02-14 — — US disclosed
US-9556088-B2 Adsorbent catalytic nanoparticles and methods of using the same IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2017-01-31 — — US disclosed
WO-2015042268-A1 CORE AND SURFACE MODIFICATION OF MESOPOROUS SILICA NANOPARTICLES TO ACHIEVE CELL SPECIFIC TARGETING IN VIVO STC.UNM (US) 2015-03-26 — — WO disclosed
US-20140302130-A1 SILICA-MATRIX FORMING COMPOSITIONS, MATERIALS FORMED THEREFROM, AND METHODS OF USING THE SAME KASINKAS, Lisa 2014-10-09 — — US disclosed
US-8828705-B1 Magnetic mesoporous material for the sequestration of algae IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2014-09-09 — — US disclosed
US-20140155670-A1 CATALYSTS AND METHODS OF USING THE SAME IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2014-06-05 — — US disclosed
US-20140155669-A1 ADSORBENT CATALYTIC NANOPARTICLES AND METHODS OF USING THE SAME ENERGY, UNITED STATES DEPARTMENT OF 2014-06-05 — — US disclosed
WO-2013070778-A1 SILICA-MATRIX FORMING COMPOSITIONS, MATERIALS FORMED THEREFROM, AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-16 — — WO disclosed
WO-2012116013-A2 SILICA ENCAPSULATED BIOMATERIALS WACKETT LAWRENCE P (US) 2012-08-30 — — 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 (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-20140155669-A1 ADSORBENT CATALYTIC NANOPARTICLES AND METHODS OF USING THE SAME FASN, LIPA, GSTO1 CRHBP 3570/4885CRHR2 4642/4885MAPT 4035/4885
US-20140155670-A1 CATALYSTS AND METHODS OF USING THE SAME FASN, HHAT, FDFT1 CRHBP 3244/4885CRHR2 2901/4885MAPT 3426/4885

“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.