SCHEMBL5557501

SCHEMBL5557501

CN(CCCCCCNC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 2/20 0.55
CDK2 P24941 1/20 0.55
EPHX2 P34913 4/20 0.51
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASR P41180 10/20 0.47
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
FES P07332 1/20 0.43
RET P07949 1/20 0.43
MARK3 P27448 1/20 0.43
TYK2 P29597 1/20 0.43
SYK P43405 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TBXAS1 P24557 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL5557503 0.81 EPHX2 (0.53) FLT4CDK2EPHX2CYP2C9CYP2C19
SCHEMBL5557494 0.76 FES (0.76) FLT4EPHX2CYP2C9CYP2C19CASR
SCHEMBL5557434 0.75 LMNA (0.54) FLT4CDK2LMNA
SCHEMBL14559615 0.72 CASR (0.58) EPHX2CASR
SCHEMBL15061601 0.69 LMNA (0.54) FLT4CDK2LMNA
SCHEMBL12913969 0.69 KDM1A (0.73) EPHX2CASR
SCHEMBL8775822 0.69 TBXAS1 (0.55) EPHX2CYP2C9CYP2C19CASRTBXAS1
SCHEMBL22170087 0.69 CDK2 (0.69) FLT4CDK2KEAP1NFE2L2
SCHEMBL4617484 0.69 EPHX2 (1.00) EPHX2LMNATBXAS1
SCHEMBL12913677 0.68 KDM1A (0.70) EPHX2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154998-B1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY ASTELLAS DEUTSCHLAND GMBH (DE) 2007-09-26 EP claimed
US-6506572-B2 Inhibitor of niacinamide phosphoribosyl transferase (NAPRT) KLINGE PHARMA GMBH (DE) 2003-01-14 US claimed
JP-2002537380-A 2002-11-05 JP claimed
US-20020160968-A1 Inhibitors of cellular niacinamide mononucleotide formation and their use in cancer therapy KLINGE PHARMA GMBH 2002-10-31 US claimed
EP-1154998-A1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY Klinge Pharma GmbH (DE) 2001-11-21 EP claimed
WO-2000050399-A1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY KLINGE PHARMA GMBH (DE) 2000-08-31 WO claimed
EP-1031564-A1 Inhibitors of cellular nicotinamide mononucleotide formation and their use in cancer therapy Klinge Pharma GmbH (DE) 2000-08-30 EP claimed
EP-1154998-B1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY ASTELLAS DEUTSCHLAND GMBH (DE) 2007-09-26 EP disclosed
EP-1816124-A2 Inhibitors of cellular niacinamide mononucleotide formation and their use in cancer therapy Astellas Deutschland GmbH (DE) 2007-08-08 EP 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-20020160968-A1 Inhibitors of cellular niacinamide mononucleotide formation and their use in cancer therapy NAMPT, NAPRT, NNT FLT4 4277/4885CDK2 720/4885EPHX2 2339/4885

“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.