SCHEMBL5243642

SCHEMBL5243642

O=[N+]([O-])c1ccc(-c2ccccc2)c2nonc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 0.67
GSTP1 P09211 7/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
GSTM2 P28161 6/20 0.58
IDO1 P14902 2/20 0.58
ALDH1A1 P00352 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
USP2 O75604 2/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
MAX P61244 1/20 0.54
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5304188 0.87 MYC (0.54) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL5246953 0.84 IDO1 (0.60) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL5244876 0.84 IDO1 (0.60) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL5281251 0.84 MEN1 (0.51) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL4785470 0.83 IDO1 (0.53) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL4787872 0.83 IDO1 (0.53) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL7052057 0.82 GSTM2 (0.66) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL4787663 0.81 IDO1 (0.53) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL4787390 0.81 MYC (0.57) MYCGSTP1MEN1KMT2AGSTM2
SCHEMBL4787863 0.81 GSTP1 (0.55) MYCGSTP1MEN1KMT2AGSTM2

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
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 MYC 622/4885GSTP1 2061/4885MEN1 3562/4885

“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.