SCHEMBL6196643

SCHEMBL6196643

C=C(C(=O)N1CCN(C(C)=O)CC1)c1ccc(Sc2ccc(C)cc2C)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 11/20 0.51
ICAM1 P05362 11/20 0.51
ITGAL P20701 11/20 0.51
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL6197165 0.93 ITGB2 (0.50) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL5830516 0.90 ITGB2 (0.63) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL5830431 0.89 ALDH1A1 (0.57) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6194851 0.85 ITGAL (0.47) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6198632 0.84 MAPT (0.63) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6197553 0.83 ALDH1A1 (0.56) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL6200004 0.83 ITGB2 (0.50) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL5829924 0.83 ITGAL (0.64) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL5830376 0.83 ITGB2 (0.64) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL5829920 0.83 MAPT (0.65) ITGB2ICAM1ITGALALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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.