SCHEMBL5288002

SCHEMBL5288002

O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2nonc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
USP2 O75604 2/20 0.57
POLB P06746 2/20 0.57
TNNI3 P19429 1/20 0.57
TNNT2 P45379 1/20 0.57
TNNC1 P63316 1/20 0.57
SIRT6 Q8N6T7 1/20 0.52
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ARNT P27540 1/20 0.43
EPAS1 Q99814 1/20 0.43

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
SCHEMBL6391290 0.82 MEN1 (0.53) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5329963 0.81 MAPT (0.64) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL6390303 0.79 MAPT (0.47) MEN1KMT2APOLBSIRT6MAPT
SCHEMBL5294777 0.78 MEN1 (0.64) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL6428662 0.78 SLC6A9 (0.55) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5294666 0.78 MEN1 (0.70) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5341701 0.77 MEN1 (0.68) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3713633 0.77 MEN1 (0.71) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5289924 0.76 TNNI3 (0.58) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5242737 0.76 MEN1 (0.70) MEN1KMT2AUSP2POLBTNNI3

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 5 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
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 1303/4885USP2 55/4885

“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.