SCHEMBL4289313

SCHEMBL4289313

COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(N3CCCC3)CC2)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 14/20 0.78
ITGB2 P05107 8/20 0.57
ICAM1 P05362 8/20 0.57
HPGD P15428 2/20 0.49
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
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
SCHEMBL4289320 1.00 ITGAL (0.78) ITGALITGB2ICAM1HPGDMAPT
SCHEMBL13879648 0.90 ITGAL (0.78) ITGALITGB2ICAM1HPGDMAPT
SCHEMBL4280143 0.88 ITGAL (1.00) ITGALITGB2ICAM1KDM4E
SCHEMBL4280136 0.88 ITGAL (1.00) ITGALITGB2ICAM1KDM4E
SCHEMBL13879649 0.87 ITGAL (0.85) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL7619374 0.86 ITGAL (0.77) ITGALITGB2ICAM1HPGDMAPT
SCHEMBL6308792 0.86 ITGAL (0.77) ITGALITGB2ICAM1HPGDMAPT
SCHEMBL13879658 0.85 ITGAL (0.79) ITGALITGB2ICAM1HPGD
SCHEMBL13879647 0.84 ITGAL (0.75) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL13879660 0.83 ITGAL (0.74) ITGALITGB2ICAM1HPGDMAPT

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 4495/4885ITGB2 4487/4885ICAM1 2947/4885

“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.