SCHEMBL6774039

SCHEMBL6774039

CC(C)[N+]([O-])=Cc1ccccc1-n1[se]c2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 7/20 0.50
▸ MPI P34949 2/20 0.46
▸ PHOSPHO1 Q8TCT1 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ QSOX1 O00391 1/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ PMM2 O15305 1/20 0.44
▸ PLIN1 O60240 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ BBOX1 O75936 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYBB P04839 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL6775054 0.87 MPI (0.47) METAP2MPIPHOSPHO1
SCHEMBL6774242 0.87 MPI (0.47) METAP2MPIPHOSPHO1
SCHEMBL6775679 0.86 METAP2 (0.45) METAP2MPIPHOSPHO1
SCHEMBL6770431 0.86 METAP2 (0.37) METAP2MPIPHOSPHO1KDM4EMEN1
SCHEMBL6781694 0.86 METAP2 (0.42) METAP2MPIPHOSPHO1
SCHEMBL6774003 0.86 METAP2 (0.45) METAP2MPIPHOSPHO1
SCHEMBL6776356 0.85 MEN1 (0.38) METAP2MPIPHOSPHO1MEN1ALDH1A1
SCHEMBL6784087 0.84 METAP2 (0.49) METAP2
SCHEMBL6770269 0.82 METAP2 (0.50) METAP2MPIPHOSPHO1KDM4EMEN1
SCHEMBL6774757 0.82 TDP1 (0.36) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9

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 METAP2 3428/4885MPI 3025/4885PHOSPHO1 607/4885

“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.

Send feedback