SCHEMBL6026974

SCHEMBL6026974

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
SCN2A Q99250 3/20 0.55
SRD5A2 P31213 2/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
NQO2 P16083 1/20 0.50
CHEK2 O96017 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
HCRTR1 O43613 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPY5R Q15761 1/20 0.47
POLB P06746 1/20 0.46
AURKA O14965 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL6027062 0.89 SCN2A (0.65) SCN2AMAPTALDH1A1MEN1KMT2A
SCHEMBL6026384 0.88 TSHR (0.58) SCN2AMAPTALDH1A1NQO2CHEK2
SCHEMBL6026591 0.86 SCN2A (0.65) SCN2AMAPTALDH1A1NQO2CHEK2
SCHEMBL6026696 0.85 POLB (0.53) SCN2AMAPTALDH1A1NQO2MEN1
SCHEMBL9976067 0.82 SCN2A (0.63) TDP1SCN2AMAPTALDH1A1MEN1
SCHEMBL6026722 0.82 SCN2A (0.58) SCN2AMAPTALDH1A1MEN1KMT2A
SCHEMBL6027597 0.78 NPY5R (0.56) SCN2AMAPTALDH1A1MEN1KMT2A
SCHEMBL9976066 0.78 SCN2A (0.66) SCN2AMAPTALDH1A1MEN1KMT2A
SCHEMBL6026321 0.78 MEN1 (0.64) TDP1SCN2AMAPTALDH1A1MEN1
SCHEMBL6026705 0.78 KMT2A (0.48) SCN2AMAPTALDH1A1MEN1KMT2A

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 TDP1 2497/4885SCN2A 4668/4885SRD5A2 3813/4885

“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.