SCHEMBL6888859

SCHEMBL6888859

O=C(Nc1ccc(-c2ncc(-c3ccccc3NC(=O)C3C4CC5CC(C4)CC3C5)[nH]2)cc1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.41
GRM4 Q14833 7/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
PKM P14618 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
STK33 Q9BYT3 1/20 0.39
JAK1 P23458 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
KLF5 Q13887 1/20 0.37
PRMT5 O14744 1/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
MAPK10 P53779 1/20 0.35

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
SCHEMBL6888532 0.83 MAPT (0.37) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6887943 0.81 RAB9A (0.38) NPC1RAB9APKMALDH1A1TP53
SCHEMBL6884593 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6883829 0.77 PTPN1 (0.44) GRM4NPC1RAB9AALDH1A1JAK1
SCHEMBL6887196 0.76 MAPT (0.37) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6881846 0.75 BACE1 (0.45) NPC1RAB9APKMALDH1A1SMN1; SMN2
SCHEMBL6027185 0.74 PTPN1 (0.44) GRM4NPC1RAB9AALDH1A1TP53
SCHEMBL6030750 0.73 RAB9A (0.62) GRM4NPC1RAB9APKMALDH1A1
SCHEMBL14182988 0.73 GRM4 (0.41) GRM4NPC1RAB9APKMALDH1A1
SCHEMBL14182964 0.73 GRM4 (0.41) GRM4NPC1RAB9APKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ITGA4 1992/4885GRM4 4630/4885NPC1 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.