SCHEMBL5301047

SCHEMBL5301047

CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
USP2 O75604 3/20 0.68
POLB P06746 3/20 0.68
TNNI3 P19429 1/20 0.68
TNNT2 P45379 1/20 0.68
TNNC1 P63316 1/20 0.68
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
S100A4 P26447 2/20 0.54
HTT P42858 2/20 0.54
THRB P10828 2/20 0.54
RECQL P46063 1/20 0.54
OPRK1 P41145 1/20 0.54
LMNA P02545 1/20 0.49
GPR174 Q9BXC1 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL5244073 0.85 MEN1 (0.61) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL6391113 0.84 MEN1 (0.75) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL24937741 0.83 MEN1 (0.62) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL24937746 0.83 MEN1 (0.59) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3500025 0.83 MEN1 (0.97) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3505138 0.81 MEN1 (1.00) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3502339 0.80 MEN1 (0.77) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5341701 0.80 MEN1 (0.68) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5302562 0.80 MEN1 (0.71) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3713633 0.80 MEN1 (0.71) 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 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 1303/4885USP2 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.