SCHEMBL6027809

SCHEMBL6027809

CC1CCC(C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)c5ccccn5)cc4)[nH]3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
PKM P14618 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.50
JAK1 P23458 2/20 0.49
GRM4 Q14833 3/20 0.48
NR2E3 Q9Y5X4 3/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42
ADRB2 P07550 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MITF O75030 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
SCHEMBL6030750 0.90 RAB9A (0.62) RAB9ANPC1PKMALDH1A1TP53
SCHEMBL6885314 0.88 NPC1 (0.53) RAB9ANPC1ALDH1A1NR2E3KMT2A
SCHEMBL6028312 0.85 RAB9A (0.52) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL6028961 0.85 RAB9A (0.46) RAB9ANPC1PKMALDH1A1TP53
SCHEMBL6029160 0.85 PTPN1 (0.54) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL6028319 0.85 PTPN1 (0.54) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL6886575 0.85 NPC1 (0.43) RAB9ANPC1PKMALDH1A1NR2E3
SCHEMBL6886236 0.83 KDM4E (0.44) RAB9ANPC1ALDH1A1NR2E3MAPT
SCHEMBL6883824 0.83 KMT2A (0.53) RAB9ANPC1ALDH1A1MAPTGSK3B
SCHEMBL6887573 0.82 NR2E3 (0.45) RAB9ANPC1PKMNR2E3MAPT

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 4 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
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 4755/4885PKM 2211/4885

“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.