SCHEMBL5830516

SCHEMBL5830516

C=C(C(=O)N1CCN(C(C)=O)CC1)c1ccc(Sc2ccccc2C)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 13/20 0.63
ITGAL P20701 13/20 0.63
ICAM1 P05362 12/20 0.63
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.41
GAA P10253 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
SCHEMBL6196643 0.90 ITGB2 (0.51) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL6200004 0.89 ITGB2 (0.50) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL5830376 0.89 ITGB2 (0.64) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL6197137 0.89 ITGB2 (0.50) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL5829920 0.89 MAPT (0.65) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL6197165 0.89 ITGB2 (0.50) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL5830131 0.88 ITGB2 (0.64) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL6198632 0.88 MAPT (0.63) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL6197553 0.87 ALDH1A1 (0.56) ITGB2ITGALICAM1LMNAALDH1A1
SCHEMBL5829785 0.87 ITGB2 (0.65) ITGB2ITGALICAM1LMNAALDH1A1

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 15 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
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-1175615-A2 LFA-1 REGULATORY BINDING SITE AND USES THEREOF ICOS CORPORATION (US) 2002-01-30 EP disclosed
WO-2000060355-A2 LFA-1 REGULATORY BINDING SITE AND USES THEREOF ICOS CORPORATION (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 32/4885ITGAL 57/4885ICAM1 1/4885

“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.