SCHEMBL6027173

SCHEMBL6027173

O=[N+]([O-])c1ccc(-c2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 4/20 0.66
MAPT P10636 7/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HCRTR1 O43613 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
NPY5R Q15761 1/20 0.49
GUSB P08236 1/20 0.48
IDO1 P14902 1/20 0.48
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 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
SCHEMBL6026651 0.94 SCN2A (0.73) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6027108 0.93 SCN2A (0.63) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6027062 0.87 SCN2A (0.65) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6026722 0.80 SCN2A (0.58) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9976067 0.80 SCN2A (0.63) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6026851 0.80 SCN2A (0.65) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6026591 0.80 SCN2A (0.65) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4872698 0.80 JAK2 (0.62) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25218791 0.78 MAPT (0.54) SCN2AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL26986686 0.77 SCN2A (0.53) SCN2AMAPTMEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613310-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS Avanir Pharmaceuticals (US) 2006-01-11 EP disclosed
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 US disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 SCN2A 4668/4885MAPT 3569/4885MEN1 2429/4885

“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.