SCHEMBL5557341

SCHEMBL5557341

CN(C(=O)NCCCCCCNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
CNR1 P21554 2/20 0.60
CNR2 P34972 2/20 0.60
MEN1 O00255 1/20 0.60
CYP3A4 P08684 2/20 0.45
CYP3A5 P20815 2/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1C Q13936 1/20 0.44
NAMPT P43490 2/20 0.44
ALOX5 P09917 1/20 0.43
CACNA1G O43497 1/20 0.42
TP53 P04637 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
SCHEMBL5557339 0.80 FES (0.61) KMT2ACNR1CNR2MEN1HTT
SCHEMBL5557503 0.77 EPHX2 (0.53)
SCHEMBL18263701 0.74 KMT2A (0.71) KMT2ACNR1CNR2MEN1ALDH1A1
SCHEMBL18263736 0.74 KMT2A (0.71) KMT2ACNR1CNR2MEN1ALDH1A1
SCHEMBL18271350 0.74 KMT2A (0.71) KMT2ACNR1CNR2MEN1ALDH1A1
SCHEMBL7663999 0.74 CNR1 (0.73) KMT2ACNR1CNR2MEN1CACNA2D1
SCHEMBL5557436 0.73 CYP3A4 (0.48) CYP3A4
SCHEMBL18263682 0.73 CNR1 (0.69) KMT2ACNR1CNR2MEN1ALDH1A1
SCHEMBL18270997 0.73 CNR1 (0.69) KMT2ACNR1CNR2MEN1ALDH1A1
SCHEMBL18263811 0.73 CNR1 (0.69) KMT2ACNR1CNR2MEN1ALDH1A1

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 KMT2A 1425/4885CNR1 2724/4885CNR2 2062/4885

“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.