SCHEMBL4787872

SCHEMBL4787872

Cc1cccc(-c2ccc([N+](=O)[O-])c3nonc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.53
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MYC P01106 3/20 0.49
FBP1 P09467 1/20 0.48
G6PD P11413 1/20 0.48
CASP6 P55212 1/20 0.48
GSTP1 P09211 2/20 0.47
GSTM2 P28161 2/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45

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
SCHEMBL4784084 0.87 IDO1 (0.52) IDO1HPGDMAPTMYCG6PD
SCHEMBL5281251 0.85 MEN1 (0.51) IDO1HPGDNPC1MAPTRAB9A
SCHEMBL4785470 0.84 IDO1 (0.53) IDO1HPGDMYCGSTP1GSTM2
SCHEMBL4787667 0.83 MEN1 (0.63) IDO1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5246953 0.83 IDO1 (0.60) IDO1HPGDMYCG6PDCASP6
SCHEMBL5243642 0.83 MYC (0.67) IDO1HPGDMYCGSTP1GSTM2
SCHEMBL5243120 0.82 KMT2A (0.52) IDO1HPGDNPC1MAPTRAB9A
SCHEMBL5244760 0.82 MEN1 (0.53) IDO1MAPTMYCGSTP1GSTM2
SCHEMBL4787990 0.81 ARNT (0.47) IDO1HPGDMYCGSTP1GSTM2
SCHEMBL5245835 0.80 IDO1 (0.53) IDO1HPGDMYCG6PDCASP6

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 805/4885HPGD 3821/4885NPC1 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.