SCHEMBL5830895

SCHEMBL5830895

O=C(/C=C/c1ccc(Sc2ccc(/C=C/C(=O)N3CCN(c4ccccn4)CC3)c(-c3ccc(Cl)cc3Cl)c2Cl)c(Cl)c1-c1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.69
ICAM1 P05362 4/20 0.69
ITGAL P20701 4/20 0.69
KDM4E B2RXH2 6/20 0.57
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 1/20 0.48
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
PDK1 Q15118 2/20 0.47
EPHX2 P34913 1/20 0.47
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL6216341 0.83 KDM4E (0.58) ITGB2ICAM1ITGALKDM4EHSD17B10
SCHEMBL5830729 0.82 ITGAL (0.64) ITGB2ICAM1ITGALSMN1; SMN2ALDH1A1
SCHEMBL5830861 0.82 ITGAL (0.64) ITGB2ICAM1ITGALALDH1A1
SCHEMBL7621845 0.82 ITGAL (1.00) ITGB2ICAM1ITGALKDM4EHSD17B10
SCHEMBL5830899 0.82 ITGAL (1.00) ITGB2ICAM1ITGALKDM4EHSD17B10
SCHEMBL5830844 0.79 ITGAL (0.50) ITGB2ICAM1ITGALSMN1; SMN2ALDH1A1
SCHEMBL5830506 0.78 ITGAL (0.57) ITGB2ICAM1ITGALALDH1A1
SCHEMBL27473974 0.78 ITGB2 (0.92) ITGB2ICAM1ITGALKDM4EMAPT
SCHEMBL5830009 0.75 ITGAL (0.46) ITGB2ICAM1ITGALSMN1; SMN2ALDH1A1
SCHEMBL5830872 0.74 ITGB2 (0.45) ITGB2ICAM1ITGALALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US claimed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US claimed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO claimed
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
US-6110922-A ARYL SULFIDE CONTAINING PENDANT CIS- OR TRANS-CINNAMIDE GROUPS ABBOTT LABORATORIES (US) 2000-08-29 US disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM ITGB2 32/4885ICAM1 1/4885ITGAL 57/4885

“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.