SCHEMBL4787667

SCHEMBL4787667

COc1cccc(-c2ccc([N+](=O)[O-])c3nonc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
NPC1 O15118 2/20 0.56
CASP3 P42574 2/20 0.56
RAB9A P51151 2/20 0.56
SENP7 Q9BQF6 1/20 0.56
IDO1 P14902 4/20 0.52
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MYC P01106 3/20 0.46
MAOB P27338 1/20 0.46
FBP1 P09467 2/20 0.45
GSTP1 P09211 2/20 0.44
GSTM2 P28161 2/20 0.44
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
MAX P61244 1/20 0.42

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
SCHEMBL5246257 0.84 IDO1 (0.63) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL4787872 0.83 IDO1 (0.53) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL5281251 0.82 MEN1 (0.51) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL5285112 0.81 MEN1 (0.53) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL4785470 0.81 IDO1 (0.53) MEN1KMT2AIDO1MYCGSTP1
SCHEMBL5243642 0.80 MYC (0.67) MEN1KMT2AIDO1MYCGSTP1
SCHEMBL5244760 0.79 MEN1 (0.53) MEN1KMT2AIDO1MYCGSTP1
SCHEMBL4787990 0.78 ARNT (0.47) MEN1KMT2AIDO1MYCGSTP1
SCHEMBL6831334 0.77 IDO1 (0.69) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL5304188 0.77 MYC (0.54) MEN1KMT2AIDO1MYCGSTP1

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 9 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-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed
EP-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 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 MEN1 3562/4885KMT2A 1303/4885NPC1 1567/4885

“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.