SCHEMBL5285308

SCHEMBL5285308

CC(=O)OCCCNc1cc(SC2CCCCC2)c2nonc2c1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.66
HTT P42858 7/20 0.66
AGTR1 P30556 3/20 0.66
NTSR1 P30989 2/20 0.66
ALDH1A1 P00352 11/20 0.65
HPGD P15428 9/20 0.65
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
NPSR1 Q6W5P4 6/20 0.65
MITF O75030 3/20 0.65
XBP1 P17861 1/20 0.65
BLM P54132 1/20 0.65
POLB P06746 3/20 0.62
PKM P14618 3/20 0.62
RECQL P46063 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 6/20 0.62
KDM4E B2RXH2 1/20 0.55
APEX1 P27695 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL5281834 0.84 MAPT (0.74) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL5281823 0.83 MAPT (0.73) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL5283971 0.82 MAPT (0.89) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL6391137 0.82 MAPT (0.71) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL8156930 0.80 MAPT (0.71) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL5288929 0.78 MAPT (0.78) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL5243197 0.77 MAPT (1.00) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL13436799 0.73 MAPT (0.70) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL14959208 0.73 MAPT (0.69) MAPTHTTAGTR1NTSR1ALDH1A1
SCHEMBL13436906 0.66 MAPT (0.59) MAPTHTTAGTR1NTSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US 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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP MAPT 1681/4885HTT 722/4885AGTR1 2774/4885

“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.