SCHEMBL6027062

SCHEMBL6027062

O=[N+]([O-])c1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 6/20 0.65
NPY5R Q15761 2/20 0.55
MAPT P10636 10/20 0.54
ALDH1A1 P00352 6/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 2/20 0.53
HCRTR1 O43613 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 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
SCHEMBL6026722 0.92 SCN2A (0.58) SCN2ANPY5RMAPTALDH1A1LMNA
SCHEMBL9976067 0.92 SCN2A (0.63) SCN2ANPY5RMAPTALDH1A1LMNA
SCHEMBL9976066 0.89 SCN2A (0.66) SCN2AMAPTALDH1A1LMNAMEN1
SCHEMBL6027597 0.89 NPY5R (0.56) SCN2ANPY5RMAPTALDH1A1LMNA
SCHEMBL6026974 0.89 TDP1 (0.57) SCN2ANPY5RMAPTALDH1A1LMNA
SCHEMBL6026384 0.87 TSHR (0.58) SCN2ANPY5RMAPTALDH1A1LMNA
SCHEMBL6027173 0.87 SCN2A (0.66) SCN2ANPY5RMAPTALDH1A1LMNA
SCHEMBL6026651 0.87 SCN2A (0.73) SCN2ANPY5RMAPTALDH1A1LMNA
SCHEMBL6026696 0.84 POLB (0.53) SCN2AMAPTALDH1A1LMNAMEN1
SCHEMBL8370164 0.83 MAPT (0.55) SCN2AMAPTALDH1A1LMNAMEN1

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 4668/4885NPY5R 4342/4885MAPT 3569/4885

“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.