SCHEMBL5288929

SCHEMBL5288929

CC(=O)OCCCNc1cc(Sc2nnc(C)s2)c2nonc2c1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.78
ALDH1A1 P00352 10/20 0.78
HTT P42858 10/20 0.78
NPSR1 Q6W5P4 9/20 0.78
KMT2A Q03164 8/20 0.78
MEN1 O00255 7/20 0.78
TLR9 Q9NR96 6/20 0.78
OPRK1 P41145 5/20 0.78
MCL1 Q07820 3/20 0.78
LMNA P02545 7/20 0.75
HPGD P15428 10/20 0.72
AGTR1 P30556 6/20 0.72
NTSR1 P30989 2/20 0.72
MITF O75030 3/20 0.68
XBP1 P17861 2/20 0.68
BLM P54132 1/20 0.68
PKM P14618 6/20 0.61
POLB P06746 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
RECQL P46063 2/20 0.61

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 0.83 MAPT (0.74) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL5281823 0.82 MAPT (0.73) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL8156930 0.81 MAPT (0.71) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL5283971 0.81 MAPT (0.89) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL6391137 0.81 MAPT (0.71) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL5285308 0.78 MAPT (0.66) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL5243197 0.76 MAPT (1.00) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL14959208 0.75 MAPT (0.69) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL13436799 0.72 MAPT (0.70) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL17232454 0.67 HPGD (0.58) MAPTALDH1A1HTTNPSR1KMT2A

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 1681/4885ALDH1A1 2627/4885HTT 722/4885

“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.