SCHEMBL6026705

SCHEMBL6026705

O=C(NC1CCCCC1)c1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
HDAC1 Q13547 1/20 0.48
POLB P06746 1/20 0.47
EPHX1 P07099 2/20 0.46
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
AURKB Q96GD4 1/20 0.46
EPHX2 P34913 1/20 0.45
SCN2A Q99250 1/20 0.45
HPGD P15428 2/20 0.44
RIPK1 Q13546 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL6879816 0.85 NPC1 (0.47) KMT2ASMN1; SMN2HPGDRIPK1NPC1
SCHEMBL6026103 0.82 HDAC1 (0.52) KMT2AMEN1SMN1; SMN2MAPTHDAC1
SCHEMBL9835734 0.82 KMT2A (0.66) KMT2AMEN1SMN1; SMN2MAPTPOLB
SCHEMBL6026031 0.80 MEN1 (0.52) KMT2AMEN1SMN1; SMN2HDAC1RIPK1
SCHEMBL6028629 0.80 PTPN1 (0.50) KMT2AMEN1SMN1; SMN2MAPTJAK2
SCHEMBL6027061 0.80 PTPN1 (0.50) KMT2AMEN1SMN1; SMN2MAPTJAK2
SCHEMBL6027227 0.79 NAMPT (0.57) KMT2AMEN1SMN1; SMN2MAPTHDAC1
SCHEMBL6026974 0.78 TDP1 (0.57) KMT2AMEN1SMN1; SMN2MAPTHDAC1
SCHEMBL6027062 0.78 SCN2A (0.65) KMT2AMEN1SMN1; SMN2MAPTPOLB
SCHEMBL5217409 0.78 PRSS12 (0.54) KMT2AMEN1MAPTPOLBRIPK1

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 2429/4885SMN1; SMN2 3623/4885

“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.