SCHEMBL6029245

SCHEMBL6029245

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]2)cc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PTPN1 P18031 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GFER P55789 1/20 0.47
PTPN2 P17706 1/20 0.47
BACE1 P56817 2/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 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
SCHEMBL6029877 1.00 TP53 (0.51) TP53KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6028677 1.00 TP53 (0.51) TP53KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6028312 0.91 RAB9A (0.52) TP53KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6026311 0.90 KCNK3 (0.57) KDM4ENPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL6885464 0.88 ROCK2 (0.58) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6028189 0.87 RAB9A (0.46) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6028883 0.87 RAB9A (0.46) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14311202 0.87 PTPN1 (0.62) TP53KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6028360 0.87 PTPN1 (0.62) TP53KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6028790 0.87 PTPN1 (0.62) TP53KDM4ENPC1RAB9ASMN1; SMN2

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 TP53 15/4885KDM4E 543/4885NPC1 4755/4885

“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.