SCHEMBL4277183

SCHEMBL4277183

COc1ccccc1Sc1ccc(C=CC(=O)NCCC2CCN(C)C2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 5/20 0.58
BCHE P06276 12/20 0.51
ACHE P22303 12/20 0.51
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 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
SCHEMBL4277179 1.00 ITGAL (0.58) ITGALBCHEACHEDRD2DRD3
SCHEMBL13879651 0.83 ITGAL (0.57) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL13879650 0.82 CYP3A4 (0.62) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL4276624 0.81 ITGAL (0.57) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL4276627 0.81 ITGAL (0.57) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL13879663 0.81 ITGAL (0.58) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL13879654 0.79 ITGAL (0.63) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL4280079 0.79 ITGAL (0.55) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL4280090 0.79 ITGAL (0.55) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL13879653 0.78 ITGAL (0.52) ITGALDRD2DRD3ITGB2ICAM1

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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ITGAL 4495/4885BCHE 2442/4885ACHE 2994/4885

“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.