SCHEMBL4649446

SCHEMBL4649446

CCOc1ccc(Br)c(C(=O)NC(Cc2ccc(-c3c(OC)cc(C#N)cc3OC)cc2)C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
NLRP3 Q96P20 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
KDR P35968 1/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
ACACB O00763 3/20 0.36
TACR3 P29371 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
SCHEMBL4649444 1.00 GAA (0.47) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4648600 0.93 ITGB1 (0.52) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4649378 0.93 ITGB1 (0.52) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4648805 0.91 ITGB1 (0.49) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4648806 0.91 ITGB1 (0.49) GAARAB9AITGB1ITGA4ITGB2
Tetrahydrofuran SCHEMBL4648660 0.88 ITGB1 (0.47) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL5706239 0.87 GAA (0.45) GAARAB9AITGB1ITGA4ITGB2
SCHEMBL4649064 0.86 ITGA4 (0.59) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649073 0.86 ITGA4 (0.59) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4648129 0.84 ITGA4 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL

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
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 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-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM GAA 279/4885RAB9A 1012/4885ITGB1 198/4885

“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.