SCHEMBL4841647

SCHEMBL4841647

N#Cc1ccc(CC23CCNN2C(=O)N(c2cc(Cl)nc(Cl)c2)C3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.38
ITGB2 P05107 6/20 0.38
ICAM1 P05362 6/20 0.38
ELANE P08246 1/20 0.34
USP2 O75604 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HSD11B1 P28845 1/20 0.33
HTR2C P28335 1/20 0.33
METAP2 P50579 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4850167 0.82 ITGAL (0.42) ITGALITGB2ICAM1
SCHEMBL4848463 0.82 HSD11B1 (0.37) ITGALITGB2ICAM1ELANEUSP2
SCHEMBL4850591 0.77 ITGAL (0.37) ITGALITGB2ICAM1HSD11B1
SCHEMBL16349444 0.76 ITGAL (0.35) ITGALITGB2ICAM1ELANETMEM97
SCHEMBL4847034 0.76 AR (0.37) ITGALITGB2ICAM1USP2TMEM97
SCHEMBL5200790 0.74 ITGAL (0.58) ITGALITGB2ICAM1ELANETMEM97
SCHEMBL5200782 0.74 ITGAL (0.58) ITGALITGB2ICAM1ELANETMEM97
SCHEMBL5206692 0.73 ITGAL (0.58) ITGALITGB2ICAM1ELANETMEM97
SCHEMBL5203623 0.73 ITGAL (0.58) ITGALITGB2ICAM1ELANETMEM97
SCHEMBL4841611 0.73 ITGB2 (0.31) ITGALITGB2ICAM1HSD11B1SMN1; SMN2

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-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

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 ITGAL 6/4885ITGB2 1/4885ICAM1 10/4885

“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.