SCHEMBL1652167

SCHEMBL1652167

Nc1ncnc2cc(CN3CCN(Cc4cc5c(F)cccc5s4)CC3=O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.60
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
PDPK1 O15530 1/20 0.36
APP P05067 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAP4K4 O95819 1/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP9 P55211 1/20 0.32
CASP8 Q14790 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
SCHEMBL1653430 0.91 F10 (0.59) F10ALDH1A1POLBAPPHRH3
SCHEMBL1653751 0.89 F10 (0.67) F10ALDH1A1POLBPDPK1
SCHEMBL1652537 0.88 F10 (0.66) F10
SCHEMBL1653713 0.87 F10 (0.66) F10PDPK1APPHRH3
SCHEMBL1654419 0.85 F10 (0.62) F10PDPK1
SCHEMBL1653608 0.85 F10 (0.64) F10ALDH1A1POLBPDPK1
SCHEMBL1651499 0.83 F10 (0.63) F10PDPK1
SCHEMBL1652172 0.83 F10 (0.73) F10APPHRH3
SCHEMBL1651389 0.83 F10 (0.77) F10
SCHEMBL1654023 0.83 F10 (0.67) F10APPHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4676613-B2 2011-04-27 JP claimed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US claimed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP claimed
JP-2002501024-A 2002-01-15 JP claimed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP claimed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO claimed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 F10 12/4885ALDH1A1 3776/4885POLB 821/4885

“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.