SCHEMBL6780955

SCHEMBL6780955

CC(C)(C)OC(=O)Nc1nc(C=[N+]([O-])C(C)(C)C)cs1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIRT1 Q96EB6 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LCK P06239 6/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
RAB9A P51151 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL6781725 0.85 PI4KB (0.39) PI4KBMAPTKDM4EHSD17B10SIRT1
SCHEMBL28234278 0.81 PI4KB (0.45) PI4KBMAPTKDM4EHSD17B10SIRT1
SCHEMBL1136868 0.81 PI4KB (0.45) PI4KBMAPTKDM4EHSD17B10SIRT1
SCHEMBL25305926 0.80 PI4KB (0.44) PI4KBMAPTKDM4EHSD17B10SIRT1
SCHEMBL11103983 0.79 PI4KB (0.43) PI4KBMAPTKDM4EHSD17B10SIRT1
Bicarbonate SCHEMBL10807004 0.77 PI4KB (0.42) PI4KBMAPTKDM4EHSD17B10SIRT1
Bicarbonate SCHEMBL10809756 0.77 PI4KB (0.42) PI4KBMAPTKDM4EHSD17B10SIRT1
SCHEMBL11108424 0.75 PI4KB (0.43) PI4KBMAPTKDM4EHSD17B10SIRT1
SCHEMBL24435469 0.74 ALDH1A1 (0.45) PI4KBMAPTKDM4EHSD17B10SIRT1
Bicarbonate SCHEMBL10809440 0.74 PI4KB (0.40) PI4KBMAPTKDM4EHSD17B10SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815459-B2 USE IN PREVENTING VARIOUS MEDICAL DYSFUNCTIONS AND DISEASES ARISING FROM REACTIVE OXYGEN SPECIES, IN PARTICULAR STROKE, PARKINSON'S DISEASE, ALZHEIMER'S DISEASE; LIPID PEROXIDATION INHIBITION ACTIVITY SAM-SUNG ELECTRONICS CO., LTD. (KR) 2004-11-09 US disclosed
US-20030220337-A1 Seleno compounds containing nitrone moiety, their preparation and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2003-11-27 US disclosed
WO-2003010154-A1 SELENO COMPOUNDS CONTAINING NITRONE MOIETY, THEIR PREPARATION AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-02-06 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 (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-20030220337-A1 Seleno compounds containing nitrone moiety, their preparation and their therapeutic uses GPX4, GPX1, LPO PI4KB 2325/4885MAPT 124/4885KDM4E 4378/4885

“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.