SCHEMBL4787516

SCHEMBL4787516

O=[N+]([O-])c1ccc(-c2cc(F)cc(F)c2)c2nonc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.52
GSTP1 P09211 3/20 0.50
GSTM2 P28161 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
MYC P01106 2/20 0.46
TDO2 P48775 4/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL4785470 0.87 IDO1 (0.53) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL5244876 0.87 IDO1 (0.60) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL4784084 0.82 IDO1 (0.52) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL5243642 0.80 MYC (0.67) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL7052057 0.79 GSTM2 (0.66) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL5246953 0.78 IDO1 (0.60) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL5281251 0.77 MEN1 (0.51) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL5243120 0.77 KMT2A (0.52) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL4787390 0.77 MYC (0.57) IDO1GSTP1GSTM2MEN1KMT2A
SCHEMBL5244899 0.77 MYC (0.52) IDO1GSTP1GSTM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IDO1 805/4885GSTP1 2061/4885GSTM2 2584/4885

“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.