SCHEMBL6310688

SCHEMBL6310688

O=C(/C=C/c1c(-c2ccccc2[N+](=O)[O-])cc(Sc2cc(-c3ccccc3[N+](=O)[O-])c(/C=C/C(=O)N3CCOCC3)c(Cl)c2Cl)c(Cl)c1Cl)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.48
ITGB2 P05107 8/20 0.48
ICAM1 P05362 8/20 0.48
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6309658 0.85 ITGAL (0.52) ITGALITGB2ICAM1L3MBTL1RAB9A
SCHEMBL6317023 0.84 ITGAL (0.51) ITGALITGB2ICAM1L3MBTL1RAB9A
SCHEMBL6317720 0.84 ITGAL (0.51) ITGALITGB2ICAM1L3MBTL1RAB9A
SCHEMBL6568431 0.79 ITGAL (0.68) ITGALITGB2ICAM1ALDH1A1L3MBTL1
SCHEMBL6310695 0.79 ITGAL (0.68) ITGALITGB2ICAM1ALDH1A1L3MBTL1
SCHEMBL6318617 0.78 RAB9A (0.49) ITGALITGB2ICAM1ALDH1A1L3MBTL1
SCHEMBL6919943 0.78 ITGAL (0.52) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL6317608 0.77 RAB9A (0.48) ITGALITGB2ICAM1L3MBTL1RAB9A
SCHEMBL6310203 0.76 ITGAL (0.49) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL13982755 0.72 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPTRAB9A

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 4 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 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

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 57/4885ITGB2 32/4885ICAM1 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.