SCHEMBL4998339

SCHEMBL4998339

CCCCCCCCCCc1nc(CCCCCCCCCC)c(C(=O)O)c(CCCCCCCCCC)c1CCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 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
SCHEMBL30150434 0.80 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29763191 0.80 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL26622817 0.80 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL15512094 0.80 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL23748542 0.80 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5138373 0.80 KCNH2 (0.43) ALDH1A1ATMGCGR
SCHEMBL14989208 0.78 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9718193 0.78 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL63310 0.78 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL21385065 0.78 BID (0.49) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143954-B1 USE OF NICOTINIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS UNIV KENTUCKY RES FOUND (US) 2004-08-11 EP claimed
US-20040147491-A1 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide NIADYNE, INC. 2004-07-29 US claimed
US-20010033848-A1 Adjustment of cellular nicotinamide-adenine dinucleotide NIADYNE, INC. 2001-10-25 US claimed
EP-1143954-A2 USE OF NICOTONIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS University of Kentucky Research Foundation (US) 2001-10-17 EP claimed
WO-2000032179-A2 USE OF NICOTONIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2000-06-08 WO claimed
US-7425319-B2 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-09-16 US disclosed
EP-1143954-B1 USE OF NICOTINIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS UNIV KENTUCKY RES FOUND (US) 2004-08-11 EP disclosed
US-20040147491-A1 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide NIADYNE, INC. 2004-07-29 US disclosed
US-6552050-B2 Adjustment of cellular nicotinamide-adenine dinucleotide UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-04-22 US disclosed
US-20020123517-A1 Reducing cell necrosis or apoptosis by administering a pro-NAD compound such as nicotinic acid or nicotinamide; nicotinamide adenine dinucleotide (NAD); manipulating poly(ADP-ribose) polymerase pathways JACOBSON ELAINE L (US) 2002-09-05 US disclosed
US-6403619-B1 TOPICALLY ADMINISTERING PRO-NAD COMPOUND (ESTERS OF NICOTINIC ACID) UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-06-11 US disclosed
US-6337065-B1 FOR THERAPY OF DISORDERS SUCH AS SUNBURN AND OTHER SKIN DETERIORATION THAT RESULTS FROM DNA DAMAGE IN SKIN CELLS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-01-08 US disclosed
US-20010033848-A1 Adjustment of cellular nicotinamide-adenine dinucleotide NIADYNE, INC. 2001-10-25 US disclosed
EP-1143954-A2 USE OF NICOTONIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS University of Kentucky Research Foundation (US) 2001-10-17 EP disclosed
WO-2000032179-A2 USE OF NICOTONIC ACID DERIVATIVES FOR THE TREATMENT OF DNA DAMAGE IN SKIN CELLS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2000-06-08 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 (3 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-20020123517-A1 Reducing cell necrosis or apoptosis by administering a pro-NAD compound such as nicotinic acid or nicotinamide; nicotinamide adenine dinucleotide (NAD); manipulating poly(ADP-ribose) polymerase pathways NAMPT, NADK, NAPRT DPP4 2623/4885BID 125/4885MCL1 431/4885
US-20040147491-A1 Prevent, maintenance of Dna damage; administering compound which forms nicotinamide-adenine dinucleotide NQO1, NNT, NAMPT DPP4 3314/4885BID 553/4885MCL1 2280/4885
US-20010033848-A1 Adjustment of cellular nicotinamide-adenine dinucleotide NQO1, NNT, NAMPT DPP4 3039/4885BID 1152/4885MCL1 2565/4885

“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.