SCHEMBL4886153

SCHEMBL4886153

O=C(O)CCCCCOc1ccc(N2C(=O)N3CCCC3(Cc3ccc(Br)cc3)C2=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL14254788 0.91 ITGAL (0.36) KDM4ELMNASMN1; SMN2FABP3FABP4
SCHEMBL4841643 0.87 ITGAL (0.37) KDM4ELMNASMN1; SMN2
SCHEMBL14254783 0.81 ITGAL (0.38) ALDH1A1SMN1; SMN2
SCHEMBL4843410 0.81 ITGAL (0.35) KDM4ELMNASMN1; SMN2
SCHEMBL4845213 0.80 ITGAL (0.41)
SCHEMBL4848511 0.78 ITGAL (0.43)
SCHEMBL4848030 0.77 ITGAL (0.36) KDM4ELMNASMN1; SMN2HPGD
SCHEMBL4845230 0.76 ITGAL (0.37)
SCHEMBL4841707 0.76 ITGAL (0.55)
SCHEMBL14264022 0.76 ITGAL (0.43)

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 ALDH1A1 425/4885MAPT 2995/4885HTT 4603/4885

“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.