SCHEMBL5301588

SCHEMBL5301588

O=[N+]([O-])c1c(N2CCCCC2)cc(-c2cccc(C(F)(F)F)c2)c2nonc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
MAPT P10636 8/20 0.44
ALDH1A1 P00352 3/20 0.44
ARNT P27540 1/20 0.44
EPAS1 Q99814 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MET P08581 1/20 0.38
APP P05067 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL5297511 0.89 MEN1 (0.53) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL5282352 0.85 MEN1 (0.53) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL5243523 0.82 MAPT (0.53) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL5244946 0.81 MEN1 (0.53) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL5285967 0.80 MEN1 (0.60) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL4787990 0.76 ARNT (0.47) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL5244236 0.74 ARNT (0.50) MEN1KMT2AMAPTARNTEPAS1
SCHEMBL6430470 0.73 KMT2A (0.52) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL5708737 0.72 MEN1 (0.64) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL6391290 0.70 MEN1 (0.53) MEN1KMT2APOLBUSP2TNNI3

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 MEN1 3562/4885KMT2A 1303/4885POLB 2997/4885

“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.