SCHEMBL5624873

SCHEMBL5624873

N#Cc1cccc(C(=O)NCCC(=O)Nc2ccc(-n3ccncc3=O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HDAC3 O15379 1/20 0.47
ROCK2 O75116 3/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NAMPT P43490 3/20 0.43
BRAF P15056 1/20 0.43
GRM5 P41594 5/20 0.42
TEK Q02763 1/20 0.41
GAA P10253 2/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5624374 0.84 F10 (0.46) MAPK1GAAF10MEN1KMT2A
SCHEMBL5437504 0.80 RHOC (0.52) ALDH1A1MAPK1GAAF10MEN1
SCHEMBL6460450 0.74 ITGB3 (0.47) ALDH1A1MAPK1NAMPTGAAF10
SCHEMBL6460444 0.71 F10 (0.48) LMNAMAPK1F10
SCHEMBL1379531 0.71 F10 (0.52) ALDH1A1LMNAMAPK1GAAF10
SCHEMBL5628377 0.69 NAMPT (0.56) ALDH1A1HDAC3ROCK2LMNANAMPT
SCHEMBL5540070 0.69 NAMPT (0.73) ALDH1A1HDAC3LMNANAMPTGRM5
SCHEMBL23518805 0.68 NAMPT (0.55) ALDH1A1HDAC3ROCK2NAMPTGRM5
SCHEMBL5433503 0.68 CYP1A2 (0.49) F10MEN1KMT2A
SCHEMBL1378839 0.67 F10 (0.45) HDAC3LMNAMAPK1GAAF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 ALDH1A1 2861/4885HDAC3 3029/4885ROCK2 949/4885

“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.