SCHEMBL4290308

SCHEMBL4290308

CCN(CC)C(=O)/C=C/c1ccc(Sc2ccccc2OC)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.58
APP P05067 1/20 0.44
ITGB2 P05107 5/20 0.42
ICAM1 P05362 5/20 0.42
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 3/20 0.41
MAOA P21397 3/20 0.41
ACHE P22303 3/20 0.41
MAOB P27338 3/20 0.41
AR P10275 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A9 P48067 1/20 0.39

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
SCHEMBL4290311 1.00 ITGAL (0.58) ITGALAPPITGB2ICAM1PTGS2
SCHEMBL4283957 0.85 ITGAL (0.67) ITGALITGB2ICAM1NPC1BCHE
SCHEMBL4283960 0.85 ITGAL (0.67) ITGALITGB2ICAM1NPC1BCHE
SCHEMBL4771364 0.84 ITGAL (0.63) ITGALITGB2ICAM1NPC1AR
SCHEMBL13879663 0.83 ITGAL (0.58) ITGALITGB2ICAM1PTGS2L3MBTL1
SCHEMBL4277188 0.80 NPC1 (0.41) ITGALITGB2ICAM1NPC1L3MBTL1
SCHEMBL4277195 0.80 NPC1 (0.41) ITGALITGB2ICAM1NPC1L3MBTL1
SCHEMBL13879651 0.80 ITGAL (0.57) ITGALITGB2ICAM1NPC1L3MBTL1
SCHEMBL4276624 0.78 ITGAL (0.57) ITGALITGB2ICAM1NPC1L3MBTL1
SCHEMBL4276627 0.78 ITGAL (0.57) ITGALITGB2ICAM1NPC1L3MBTL1

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
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ITGAL 4495/4885APP 4226/4885ITGB2 4487/4885

“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.