SCHEMBL6886834

SCHEMBL6886834

COc1ccc(C(=O)Nc2ccc(-c3ncc(-c4ccc(NC(=O)C5CCC(C)CC5)cc4)[nH]3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SCN2A Q99250 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 1/20 0.46
AURKA O14965 2/20 0.46
XDH P47989 1/20 0.45
GPR35 Q9HC97 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 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
SCHEMBL6026519 0.92 MEN1 (0.64) KMT2AMEN1SCN2ANPC1RAB9A
SCHEMBL6883824 0.89 KMT2A (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6886575 0.89 NPC1 (0.43) KMT2ASCN2ANPC1RAB9AAURKA
SCHEMBL6885314 0.89 NPC1 (0.53) KMT2ANPC1RAB9AJAK2ALDH1A1
SCHEMBL6887573 0.84 NR2E3 (0.45) KMT2AMEN1NPC1RAB9APKM
SCHEMBL6885545 0.83 ABL1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6028312 0.83 RAB9A (0.52) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL6029160 0.83 PTPN1 (0.54) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL6028319 0.83 PTPN1 (0.54) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL6026517 0.83 MEN1 (0.52) KMT2AMEN1SCN2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826111-A Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS (US) 2006-08-30 CN disclosed
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 US 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 2429/4885SCN2A 4668/4885

“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.