SCHEMBL5830892

SCHEMBL5830892

C=C(C(=O)N1CCN(c2ccccn2)CC1)c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.64
ICAM1 P05362 1/20 0.64
ITGAL P20701 1/20 0.64
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 4/20 0.54
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 1/20 0.52
EPHX2 P34913 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AVPR1A P37288 1/20 0.46

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
SCHEMBL27473975 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL5830727 0.80 ITGAL (0.57) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL5830859 0.80 ITGAL (0.57) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL7621845 0.78 ITGAL (1.00) ITGB2ICAM1ITGALKDM4EHSD17B10
SCHEMBL5830899 0.78 ITGAL (1.00) ITGB2ICAM1ITGALKDM4EHSD17B10
SCHEMBL5830843 0.76 ALDH1A1 (0.46) ITGB2ICAM1ITGALALDH1A1HSD17B10
SCHEMBL5830504 0.75 MAPT (0.50) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL7849244 0.75 ITGAL (0.50) ITGB2ICAM1ITGALALDH1A1HPGD
SCHEMBL27473974 0.73 ITGB2 (0.92) ITGB2ICAM1ITGALKDM4EMAPT
SCHEMBL5830782 0.72 ITGB2 (0.53) ITGB2ICAM1ITGALALDH1A1MAPT

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-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
US-6110922-A ARYL SULFIDE CONTAINING PENDANT CIS- OR TRANS-CINNAMIDE GROUPS ABBOTT LABORATORIES (US) 2000-08-29 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-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.