SCHEMBL6809043

SCHEMBL6809043

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N(C)C(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.38
ICAM1 P05362 4/20 0.38
ITGAL P20701 4/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
ACE P12821 2/20 0.37
MME P08473 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ITGA4 P13612 3/20 0.36
ITGB1 P05556 2/20 0.36
ITGB7 P26010 2/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL6807437 0.92 ITGA4 (0.41) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7538530 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6808064 0.89 ITGA4 (0.46) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6808898 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6807290 0.88 ITGB2 (0.44) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7544812 0.85 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7547460 0.85 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7540780 0.85 ITGB2 (0.45) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6807195 0.85 KMT2A (0.47) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7544261 0.84 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ITGB2 59/4885ICAM1 1/4885ITGAL 174/4885

“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.