SCHEMBL4744977

SCHEMBL4744977

O=[N+]([O-])c1ccc(-c2cccc3cccnc23)c2nonc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.61
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 6/20 0.49
MYC P01106 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MDM4 O15151 1/20 0.45
NFKBIA P25963 1/20 0.45
OPRK1 P41145 1/20 0.45
MDM2 Q00987 1/20 0.45
RELA Q04206 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
RAB9A P51151 2/20 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
SCHEMBL5243871 0.82 MYC (0.50) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL6391097 0.82 PDE10A (0.56) PDE10AMEN1KMT2AMAPTTDP1
SCHEMBL4787273 0.81 MEN1 (0.73) PDE10AMEN1KMT2AMAPTTDP1
SCHEMBL17997972 0.80 PDE10A (0.73) PDE10AMEN1KMT2AMAPTTDP1
SCHEMBL5244257 0.80 MAPT (0.50) PDE10AMEN1KMT2AMAPTTDP1
SCHEMBL6396570 0.80 PDE10A (0.56) PDE10AMEN1KMT2AMAPTTDP1
SCHEMBL949962 0.77 PDE10A (1.00) PDE10AMEN1KMT2AMAPTTDP1
SCHEMBL5242938 0.77 MEN1 (0.53) MEN1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL5244899 0.76 MYC (0.52) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL5244634 0.76 MEN1 (0.52) MEN1KMT2AL3MBTL1GAAALDH1A1

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 PDE10A 4768/4885MEN1 3562/4885KMT2A 1303/4885

“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.