SCHEMBL4841545

SCHEMBL4841545

CC(=O)Nc1ccc(-c2ccc(CC34CCCN3C(=O)N(c3cc(Cl)cc(Cl)c3)C4=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MCHR1 Q99705 3/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
ABCB1 P08183 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
PARG Q86W56 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36

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 0.84 CNR1 (0.47) MCHR1LMNA
SCHEMBL4847498 0.83 ITGAL (0.39) METAP2ALDH1A1ITGB2ICAM1ITGAL
SCHEMBL4846097 0.82 LMNA (0.43) ALDH1A1ITGB2ICAM1ITGALL3MBTL1
SCHEMBL6219120 0.82 CNR1 (0.37) METAP2ALDH1A1MCHR1MEN1KMT2A
SCHEMBL4847326 0.81 ITGAL (0.39) METAP2KDM4EALDH1A1ITGB2ICAM1
SCHEMBL7106026 0.80 NR1H4 (0.36) METAP2MCHR1
SCHEMBL6218812 0.80 ITGAL (0.36) METAP2MCHR1ITGB2ICAM1ITGAL
SCHEMBL4844859 0.80 ITGAL (0.41) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL4841707 0.80 ITGAL (0.55) ITGB2ICAM1ITGAL
SCHEMBL14254855 0.79 ITGAL (0.46) METAP2ITGB2ICAM1ITGALMEN1

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 6 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
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 WO 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 METAP2 1571/4885KDM4E 2700/4885ALDH1A1 425/4885

“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.