SCHEMBL5281476

SCHEMBL5281476

Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])c4nonc34)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
POLB P06746 4/20 0.61
USP2 O75604 3/20 0.61
TNNI3 P19429 2/20 0.61
TNNT2 P45379 2/20 0.61
TNNC1 P63316 2/20 0.61
MAPT P10636 7/20 0.48
ALDH1A1 P00352 3/20 0.48
S100A4 P26447 2/20 0.48
HTT P42858 2/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.45
IDO1 P14902 3/20 0.45
G6PD P11413 1/20 0.44
CASP6 P55212 1/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 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
SCHEMBL6393072 0.84 MEN1 (0.58) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL5300515 0.83 POLB (0.65) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL5243445 0.82 MEN1 (0.64) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL8268535 0.80 MEN1 (0.57) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL6391113 0.80 MEN1 (0.75) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL8159616 0.79 KMT2A (0.70) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL5291758 0.79 KMT2A (0.62) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL3500025 0.78 MEN1 (0.97) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL5297433 0.78 KMT2A (0.61) KMT2AMEN1POLBUSP2TNNI3
SCHEMBL5294777 0.77 MEN1 (0.64) KMT2AMEN1POLBUSP2TNNI3

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
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
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 KMT2A 1303/4885MEN1 3562/4885POLB 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.