SCHEMBL5070975

SCHEMBL5070975

Cc1cccc(NC(=O)Nc2ccc(-c3cccn(Cc4ccc(CCC(=O)O)cc4)c3=O)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.57
ITGA4 P13612 15/20 0.57
PTGER3 P43115 5/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL8345907 0.86 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5070973 0.79 ITGB1 (0.44) ITGB1ITGA4KDM4EALDH1A1MAPT
SCHEMBL8345904 0.77 ITGB1 (0.62) ITGB1ITGA4KDM4EMEN1MAPT
SCHEMBL5068351 0.77 ITGB1 (0.82) ITGB1ITGA4KDM4EMAPTRAB9A
SCHEMBL8345937 0.75 ITGB1 (0.54) ITGB1ITGA4KDM4EMEN1MAPT
SCHEMBL5069282 0.73 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5066815 0.73 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5068391 0.73 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5068926 0.73 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5066874 0.73 ITGB1 (1.00) ITGB1ITGA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US disclosed
US-20050288337-A1 Novel compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-29 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-20050288337-A1 Novel compounds ITGB4, ITGA4, ITGB5 ITGB1 5/4885ITGA4 2/4885PTGER3 1141/4885

“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.