SCHEMBL6645904

SCHEMBL6645904

CN(C)c1cc(Cl)ccc1C(=O)Nc1ccc(OCCc2cccc(NC(=O)O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.43
ITGA5 P08648 13/20 0.43
ITGB3 P05106 13/20 0.43
ITGAV P06756 13/20 0.43
TP53 P04637 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SORT1 Q99523 1/20 0.42
PPARG P37231 1/20 0.41
ITGB6 P18564 1/20 0.40

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
SCHEMBL6645991 0.91 CHRNB2 (0.44) ITGB1ITGA5ITGB3ITGAVTP53
SCHEMBL6830856 0.88 CHRNB2 (0.46) ITGB1ITGA5ITGB3ITGAVTP53
SCHEMBL6645393 0.88 ITGB1 (0.46) ITGB1ITGA5TP53TAS1R3TAS1R1
SCHEMBL6644987 0.83 CHRNB2 (0.45) ITGB1ITGA5ITGB3ITGAVTP53
SCHEMBL6644545 0.83 CHRNB2 (0.46) ITGB1ITGA5ITGB3ITGAVTP53
SCHEMBL6826089 0.82 TAS1R3 (0.44) TP53TAS1R3TAS1R1PPARG
SCHEMBL6490416 0.81 CHRNB2 (0.43) ITGB1ITGA5ITGB3ITGAVCHRNB2
SCHEMBL6646509 0.79 ITGB1 (0.43) ITGB1ITGA5TP53
SCHEMBL6646068 0.77 ITGB3 (0.41) ITGB1ITGA5ITGB3ITGAVTP53
SCHEMBL6645478 0.77 SORT1 (0.42) TP53SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR ITGB1 711/4885ITGA5 3235/4885ITGB3 1528/4885

“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.