SCHEMBL5283971

SCHEMBL5283971

CCCSc1cc(NCCCOC(C)=O)c([N+](=O)[O-])c2nonc12

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.89
ALDH1A1 P00352 13/20 0.74
LMNA P02545 7/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
AGTR1 P30556 3/20 0.74
HPGD P15428 10/20 0.71
MEN1 O00255 9/20 0.71
KMT2A Q03164 9/20 0.71
PKM P14618 6/20 0.71
POLB P06746 5/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
RECQL P46063 2/20 0.71
HTT P42858 7/20 0.70
NTSR1 P30989 1/20 0.70
NPSR1 Q6W5P4 7/20 0.69
MITF O75030 3/20 0.69
BLM P54132 2/20 0.69
XBP1 P17861 1/20 0.69
THRB P10828 1/20 0.64
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL8156930 0.89 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL6391137 0.89 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL5281834 0.87 MAPT (0.74) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL5281823 0.87 MAPT (0.73) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL5243197 0.83 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL5285308 0.82 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL5288929 0.81 MAPT (0.78) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL13436799 0.76 MAPT (0.70) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL14959208 0.75 MAPT (0.69) MAPTALDH1A1LMNASMN1; SMN2AGTR1
SCHEMBL13436906 0.69 MAPT (0.59) MAPTALDH1A1LMNASMN1; SMN2AGTR1

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 5 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

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 2627/4885LMNA 3860/4885

“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.