SCHEMBL5557294

SCHEMBL5557294

O=C(CCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NCCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.51
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ DRD2 P14416 3/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PTAFR P25105 1/20 0.47

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
SCHEMBL3458346 0.91 DRD2 (0.54) HDAC4HDAC1ALOX5DRD2DRD3
SCHEMBL5557428 0.82 DRD2 (0.48) ALOX5DRD2DRD3LMNAALDH1A1
SCHEMBL82837 0.80 PTAFR (0.53) NAMPTLMNAALDH1A1PTAFR
SCHEMBL82722 0.79 PTAFR (0.56) NAMPTLMNAALDH1A1PTAFR
SCHEMBL10667576 0.79 ALOX5 (0.66) HDAC4HDAC1ALOX5DRD2DRD3
SCHEMBL82430 0.78 PTAFR (0.49) NAMPTLMNAALDH1A1MEN1KMT2A
SCHEMBL81394 0.78 PTAFR (0.49) NAMPTLMNAALDH1A1MEN1KMT2A
SCHEMBL83930 0.77 LMNA (0.49) LMNAALDH1A1MEN1KMT2APTAFR
SCHEMBL9662468 0.77 DRD3 (0.72) ALOX5DRD2DRD3HTR1A
SCHEMBL21663716 0.77 LMNA (0.63) HDAC4HDAC1DRD2DRD3LMNA

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 1/4885HDAC4 986/4885HDAC1 490/4885

“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.

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