SCHEMBL5300515

SCHEMBL5300515

O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)c2nonc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
TNNI3 P19429 2/20 0.65
TNNT2 P45379 2/20 0.65
TNNC1 P63316 2/20 0.65
MEN1 O00255 1/20 0.65
USP2 O75604 1/20 0.65
KMT2A Q03164 1/20 0.65
MAPT P10636 10/20 0.53
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MAPK1 P28482 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL8159616 0.86 KMT2A (0.70) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL5243445 0.85 MEN1 (0.64) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL5281476 0.83 KMT2A (0.61) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL3713633 0.83 MEN1 (0.71) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL5291758 0.81 KMT2A (0.62) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL3500025 0.81 MEN1 (0.97) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL5297433 0.81 KMT2A (0.61) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL5303803 0.81 USP2 (0.61) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL6393072 0.80 MEN1 (0.58) POLBTNNI3TNNT2TNNC1MEN1
SCHEMBL6391113 0.80 MEN1 (0.75) POLBTNNI3TNNT2TNNC1MEN1

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
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO 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 POLB 2997/4885TNNI3 2217/4885TNNT2 3294/4885

“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.