SCHEMBL6049353

SCHEMBL6049353

O=[N+]([O-])c1ccc(NCCCCCCO)c2nonc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 4/20 1.00
HRH3 Q9Y5N1 2/20 0.67
GSTP1 P09211 5/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
USP2 O75604 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
MIF P14174 1/20 0.55
S1PR1 P21453 3/20 0.54
S1PR3 Q99500 3/20 0.54
S1PR4 O95977 2/20 0.54
S1PR5 Q9H228 2/20 0.54
MYC P01106 2/20 0.52
IDO1 P14902 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL12277671 1.00 GSTM2 (1.00) GSTM2HRH3GSTP1MEN1KMT2A
SCHEMBL17788961 0.95 GSTM2 (0.90) GSTM2HRH3GSTP1MEN1KMT2A
SCHEMBL8427049 0.89 GSTM2 (0.81) GSTM2HRH3GSTP1MEN1KMT2A
SCHEMBL19690834 0.87 GSTM2 (0.77) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL28275153 0.87 GSTM2 (0.77) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL19400408 0.87 GSTM2 (0.77) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL4666212 0.87 GSTM2 (0.77) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL2420517 0.87 GSTM2 (0.77) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL459120 0.86 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL15515612 0.86 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2

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
US-8796317-B2 Use of 7-nitro-2,1,3-benzoxadiazole derivatives for anticancer therapy Universita Degli Studi Di Roma “Tor Vergata” (IT) 2014-08-05 US disclosed
US-20060247284-A1 Use of 7-nitro-2,1,3 benzoxadiazole derivatives for anticancer therapy UNIVERSITA DEGLI STUDI DI ROMA "TOR VERGATA" (IT) 2006-11-02 US disclosed
EP-1615638-B1 USE OF 7-NITRO-2,1,3 BENZOXADIAZOLE DERIVATIVES FOR ANTICANCER THERAPY UNIV ROMA (IT) 2006-09-27 EP disclosed
EP-1615638-A1 USE OF 7-NITRO-2,1,3 BENZOXADIAZOLE DERIVATIVES FOR ANTICANCER THERAPY Università degli Studi di Roma " Tor Vergata" (IT) 2006-01-18 EP disclosed
WO-2004093874-A1 USE OF 7-NITRO-2,1,3 BENZOXADIAZOLE DERIVATIVES FOR ANTICANCER THERAPY UNIVERSITA' DEGLI STUDI DI ROMA 'TOR VERGATA' (IT) 2004-11-04 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-20060247284-A1 Use of 7-nitro-2,1,3 benzoxadiazole derivatives for anticancer therapy GSTK1, GSTP1, GSTM1 GSTM2 5/4885HRH3 4206/4885GSTP1 2/4885

“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.