SCHEMBL4850402

SCHEMBL4850402

N#Cc1ccc(CC23CCCN2C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
METAP2 P50579 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2D6 P10635 3/20 0.35
TSHR P16473 3/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCHR1 Q99705 6/20 0.35
ITGAL P20701 4/20 0.34
ITGB2 P05107 3/20 0.34
ICAM1 P05362 3/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL4845276 0.90 ITGAL (0.42) HSD11B1METAP2ITGALITGB2ICAM1
SCHEMBL4848014 0.88 METAP2 (0.36) HSD11B1METAP2SMN1; SMN2CYP2D6TSHR
SCHEMBL4850447 0.87 MCHR1 (0.38) HSD11B1CYP2D6TSHRUSP2ALDH1A1
SCHEMBL4848463 0.87 HSD11B1 (0.37) HSD11B1METAP2SMN1; SMN2CYP2D6TSHR
SCHEMBL4847327 0.84 CYP2D6 (0.38) HSD11B1METAP2CYP2D6TSHRUSP2
SCHEMBL4847423 0.83 ITGAL (0.38) HSD11B1METAP2SMN1; SMN2CYP2D6TSHR
SCHEMBL14264113 0.83 TSHR (0.37) HSD11B1CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL16349444 0.83 ITGAL (0.35) HSD11B1CYP2D6TSHRALDH1A1CYP3A4
SCHEMBL14264032 0.82 HSD11B1 (0.34) HSD11B1METAP2SMN1; SMN2CYP2D6TSHR
SCHEMBL4839926 0.79 ITGAL (0.35) HSD11B1METAP2SMN1; SMN2CYP2D6TSHR

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 8 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-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
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 HSD11B1 935/4885METAP2 1571/4885SMN1; SMN2 1791/4885

“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.