SCHEMBL6199404

SCHEMBL6199404

CCOC(=O)C1CCCCN1C(=O)C=Cc1ccc(Sc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 14/20 0.63
KMT2A Q03164 1/20 0.48
ITGB2 P05107 11/20 0.46
ICAM1 P05362 11/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL27492723 1.00 ITGAL (0.63) ITGALKMT2AITGB2ICAM1NPC1
SCHEMBL27473160 0.89 ITGAL (0.60) ITGALKMT2AITGB2ICAM1NPC1
SCHEMBL6201150 0.89 ITGAL (0.60) ITGALKMT2AITGB2ICAM1NPC1
SCHEMBL6199140 0.89 ITGAL (0.67) ITGALKMT2AITGB2ICAM1
SCHEMBL27474407 0.88 ITGB2 (0.54) ITGALITGB2ICAM1CYP1A2CYP2C19
SCHEMBL27492013 0.87 ITGAL (0.62) ITGALKMT2AITGB2ICAM1NPC1
SCHEMBL6197106 0.87 ITGAL (0.62) ITGALKMT2AITGB2ICAM1NPC1
SCHEMBL6198100 0.87 ITGAL (0.72) ITGALITGB2ICAM1NPC1POLB
SCHEMBL27475307 0.87 ITGAL (0.72) ITGALITGB2ICAM1NPC1POLB
SCHEMBL6199844 0.85 ITGAL (0.66) ITGALKMT2AITGB2ICAM1NPC1

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 ITGAL 57/4885KMT2A 4094/4885ITGB2 32/4885

“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.