SCHEMBL3713633

SCHEMBL3713633

O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c2nonc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
USP2 O75604 4/20 0.71
POLB P06746 2/20 0.71
TNNI3 P19429 1/20 0.71
TNNT2 P45379 1/20 0.71
TNNC1 P63316 1/20 0.71
GSTP1 P09211 3/20 0.50
GSTM2 P28161 3/20 0.50
MYC P01106 1/20 0.50
IDO1 P14902 1/20 0.50
MAPT P10636 6/20 0.49
RECQL P46063 3/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5242737 0.88 MEN1 (0.70) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5294666 0.88 MEN1 (0.70) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5341701 0.87 MEN1 (0.68) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3502339 0.85 MEN1 (0.77) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3500025 0.85 MEN1 (0.97) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL6391113 0.84 MEN1 (0.75) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL3505138 0.83 MEN1 (1.00) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL8159616 0.83 KMT2A (0.70) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5329963 0.83 MAPT (0.64) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL5300515 0.83 POLB (0.65) 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
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US 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 (2 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-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS MEN1 4597/4885KMT2A 1674/4885USP2 1795/4885
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.