SCHEMBL4840734

SCHEMBL4840734

NC(=O)N(c1ccccc1)c1cccc(-c2ccc(CC34CCCN3C(=O)N(c3cc(Cl)cc(Cl)c3)C4=O)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
SCN5A Q14524 1/20 0.36
MCHR1 Q99705 3/20 0.33
METAP2 P50579 2/20 0.33
ACLY P53396 1/20 0.32
ITGB2 P05107 3/20 0.32
ICAM1 P05362 3/20 0.32
ITGAL P20701 3/20 0.32
FFAR2 O15552 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL4840751 0.82 CNR1 (0.47) EPHX1EPHX2SCN5AMCHR1TSHR
SCHEMBL6218812 0.82 ITGAL (0.36) EPHX1EPHX2SCN5AMCHR1METAP2
SCHEMBL14254855 0.80 ITGAL (0.46) EPHX2METAP2ITGB2ICAM1ITGAL
SCHEMBL6215949 0.79 ITGAL (0.36) EPHX1EPHX2SCN5AMCHR1ITGB2
SCHEMBL4849224 0.78 ITGAL (0.38) ITGB2ICAM1ITGAL
SCHEMBL4847326 0.77 ITGAL (0.39) METAP2ITGB2ICAM1ITGALALDH1A1
SCHEMBL4848864 0.77 LMNA (0.39) MCHR1ITGB2ICAM1ITGALALDH1A1
SCHEMBL4848531 0.76 AGTR1 (0.44)
SCHEMBL4846595 0.76 NR1H4 (0.44)
SCHEMBL4847479 0.74 ITGAL (0.39) MCHR1METAP2ITGB2ICAM1ITGAL

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-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 EPHX1 1016/4885EPHX2 664/4885SCN5A 122/4885

“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.