SCHEMBL5557508

SCHEMBL5557508

O=C(NCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1)NCCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
FES P07332 1/20 0.47
RET P07949 1/20 0.47
MARK3 P27448 1/20 0.47
TYK2 P29597 1/20 0.47
FLT4 P35916 1/20 0.47
SYK P43405 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
LMNA P02545 2/20 0.45
PTAFR P25105 2/20 0.45
KCNA5 P22460 1/20 0.44
ALDH1A1 P00352 2/20 0.44
C3AR1 Q16581 1/20 0.44
POLB P06746 1/20 0.43
CCR3 P51677 1/20 0.43
CHRM4 P08173 1/20 0.42

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
SCHEMBL81910 0.90 PTAFR (0.50) NAMPTCYP3A4CYP2C9LMNAPTAFR
SCHEMBL82430 0.89 PTAFR (0.49) NAMPTCYP3A4CYP2C9LMNAPTAFR
SCHEMBL81394 0.89 PTAFR (0.49) NAMPTCYP3A4CYP2C9LMNAPTAFR
SCHEMBL82722 0.88 PTAFR (0.56) NAMPTCYP3A4CYP2C9LMNAPTAFR
SCHEMBL3079286 0.88 PTAFR (0.48) NAMPTCYP3A4CYP2C9LMNAPTAFR
SCHEMBL83930 0.87 LMNA (0.49) CYP3A4CYP2C9LMNAPTAFRALDH1A1
SCHEMBL5558257 0.86 CDK2 (0.57) NAMPTCYP3A4CYP2C9FLT4CCR3
SCHEMBL3080363 0.85 NAMPT (0.45) NAMPTCYP3A4CYP2C9C3AR1CHRM4
SCHEMBL5557428 0.85 DRD2 (0.48) CYP3A4CYP2C9LMNAPTAFRALDH1A1
SCHEMBL3073763 0.84 NAMPT (0.45) NAMPTCYP3A4CYP2C9CHRM4

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 10 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-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 NAMPT 1/4885CYP3A4 1746/4885CYP2C9 1567/4885

“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.