SCHEMBL5830446

SCHEMBL5830446

C=C(C(=O)N1CCN(C(CC)(CC)C(N)=O)CC1)c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
ITGB2 P05107 5/20 0.47
ICAM1 P05362 5/20 0.47
ITGAL P20701 5/20 0.47
MAPT P10636 3/20 0.40
USP7 Q93009 3/20 0.38
USP47 Q96K76 1/20 0.38
BCL2L1 Q07817 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MGLL Q99685 1/20 0.37
PDE7A Q13946 1/20 0.36
IDO1 P14902 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL5829924 0.84 ITGAL (0.64) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL5830782 0.84 ITGB2 (0.53) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL5830016 0.83 LMNA (0.51) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL6199570 0.83 LMNA (0.51) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL5830356 0.82 ITGB2 (0.50) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL5830388 0.81 ITGB2 (0.51) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL5830818 0.81 LMNA (0.52) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL5830427 0.81 ITGB2 (0.52) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL5830452 0.80 LMNA (0.52) LMNAALDH1A1RAB9AITGB2ICAM1
SCHEMBL6498743 0.80 ITGB2 (0.49) LMNAALDH1A1RAB9AITGB2ICAM1

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 12 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
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
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US 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 LMNA 2599/4885ALDH1A1 484/4885RAB9A 2366/4885

“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.