SCHEMBL6027271

SCHEMBL6027271

O=C(Nc1ccccn1)c1cccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 1/20 0.54
SCN2A Q99250 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 2/20 0.51
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
STAT1 P42224 1/20 0.48
TP53 P04637 1/20 0.48
BACE1 P56817 4/20 0.47
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL6026321 0.90 MEN1 (0.64) KMT2AMEN1LMNASCN2ANPC1
SCHEMBL6026591 0.81 SCN2A (0.65) KMT2AMEN1LMNASCN2ANPC1
SCHEMBL10090737 0.78 ALDH1A1 (0.78) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6026651 0.76 SCN2A (0.73) KMT2AMEN1LMNASCN2ANPC1
SCHEMBL8212003 0.76 MEN1 (0.81) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL14381536 0.74 MMP2 (0.61) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6027062 0.72 SCN2A (0.65) KMT2AMEN1LMNASCN2ANPC1
SCHEMBL6027173 0.72 SCN2A (0.66) KMT2AMEN1LMNASCN2ANPC1
SCHEMBL27833532 0.71 NPC1 (0.52) KMT2AMEN1SCN2ANPC1RAB9A
SCHEMBL24368165 0.71 HDAC2 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1

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 KMT2A 361/4885MEN1 2429/4885LMNA 4605/4885

“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.