SCHEMBL5244236

SCHEMBL5244236

O=[N+]([O-])c1cc(-c2cccc(C(F)(F)F)c2)c2nonc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ARNT P27540 2/20 0.50
EPAS1 Q99814 2/20 0.50
SCN2A Q99250 1/20 0.45
ABCG2 Q9UNQ0 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MET P08581 1/20 0.41
SLC29A1 Q99808 1/20 0.40
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5243660 0.82 ABCC8 (0.46) ARNTEPAS1MEN1KMT2AKIF11
SCHEMBL5244253 0.81 MAPT (0.50) ARNTEPAS1MEN1KMT2AKEAP1
SCHEMBL5245799 0.81 KDM4E (0.41) ARNTEPAS1SCN2AALOX15ALOX12
SCHEMBL4787990 0.81 ARNT (0.47) ARNTEPAS1SCN2AMEN1KMT2A
SCHEMBL8153946 0.79 BRD4 (0.45) ARNTEPAS1ABCG2MEN1KMT2A
SCHEMBL4788108 0.78 KDM4E (0.46) ARNTEPAS1SCN2AMAPT
SCHEMBL5245136 0.77 NPBWR1 (0.44) ARNTEPAS1MEN1KMT2AKEAP1
SCHEMBL5243653 0.76 ARNT (0.45) ARNTEPAS1MEN1KMT2AKEAP1
SCHEMBL5244995 0.75 MAPT (0.45) MEN1KMT2AKEAP1NFE2L2MAPT
SCHEMBL5301588 0.74 MEN1 (0.50) ARNTEPAS1MEN1KMT2AMET

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 4 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
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 ARNT 1732/4885EPAS1 1966/4885SCN2A 4683/4885

“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.