SCHEMBL6028883

SCHEMBL6028883

CC1CCCCC1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)c4cccnc4)cc3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
BACE1 P56817 3/20 0.44
TP53 P04637 3/20 0.43
ALDH1A1 P00352 3/20 0.42
GFER P55789 2/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6028189 1.00 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL6028677 0.87 TP53 (0.51) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL6029245 0.87 TP53 (0.51) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL6029877 0.87 TP53 (0.51) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL6028961 0.85 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL6028312 0.85 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL6885464 0.84 ROCK2 (0.58) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL14182709 0.83 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL14182752 0.83 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL6031823 0.83 PTPN1 (0.51) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 RAB9A 3864/4885NPC1 4755/4885SMN1; 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.