SCHEMBL4280090

SCHEMBL4280090

COc1ccccc1Sc1ccc(C=CC(=O)NCCCN(C)C)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 5/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
ITGB2 P05107 3/20 0.45
ICAM1 P05362 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
LY96 Q9Y6Y9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4280079 1.00 ITGAL (0.55) ITGALMEN1KMT2ADRD2DRD3
SCHEMBL13879651 0.90 ITGAL (0.57) ITGALMEN1KMT2ADRD2DRD3
SCHEMBL4276624 0.86 ITGAL (0.57) ITGALMEN1KMT2ADRD2DRD3
SCHEMBL4276627 0.86 ITGAL (0.57) ITGALMEN1KMT2ADRD2DRD3
SCHEMBL13879663 0.86 ITGAL (0.58) ITGALMEN1KMT2ADRD2DRD3
SCHEMBL13879653 0.83 ITGAL (0.52) ITGALMEN1KMT2ADRD2DRD3
SCHEMBL13879654 0.81 ITGAL (0.63) ITGALKMT2ADRD2DRD3ITGB2
SCHEMBL13879652 0.81 ITGAL (0.57) ITGALMEN1KMT2ADRD2DRD3
SCHEMBL13879650 0.80 CYP3A4 (0.62) ITGALDRD2DRD3ITGB2ICAM1
SCHEMBL4283957 0.79 ITGAL (0.67) ITGALITGB2ICAM1LMNAMAPT

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 4495/4885MEN1 4395/4885KMT2A 2463/4885

“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.