SCHEMBL5244253

SCHEMBL5244253

Cc1cccc(-c2cc([N+](=O)[O-])cc3nonc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.45
ACHE P22303 1/20 0.45
NPBWR1 P48145 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
GFER P55789 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAOB P27338 1/20 0.41
ARNT P27540 1/20 0.40
EPAS1 Q99814 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL5244995 0.85 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5244236 0.81 ARNT (0.50) MAPTKMT2AMEN1ARNTEPAS1
SCHEMBL5303012 0.81 KMT2A (0.49) MAPTSMN1; SMN2TSHRACHENPBWR1
SCHEMBL5246540 0.79 MAP4K4 (0.41) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL4787872 0.79 IDO1 (0.53) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5245136 0.77 NPBWR1 (0.44) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4785142 0.76 CHEK1 (0.47) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5243653 0.76 ARNT (0.45) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5244493 0.73 MEN1 (0.43) MAPTRAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL5244257 0.72 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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 6 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-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 MAPT 1681/4885NPC1 1567/4885RAB9A 1823/4885

“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.