SCHEMBL21462014

SCHEMBL21462014

CCNC(=O)OCCON(C(=O)CCCCCCNc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
HDAC1 Q13547 10/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ROCK1 Q13464 3/20 0.37
CDC42BPA Q5VT25 3/20 0.37
AURKB Q96GD4 3/20 0.37
CHEK2 O96017 2/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
PIM1 P11309 1/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
FES P07332 1/20 0.35

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
SCHEMBL20095663 0.90 NAMPT (0.43) NAMPTHDAC1HDAC3HDAC2HDAC10
SCHEMBL21462013 0.85 NAMPT (0.41) NAMPTHDAC1HDAC3HDAC2HDAC10
SCHEMBL20095324 0.82 NAMPT (0.39) NAMPTHDAC1HDAC3HDAC2HDAC10
SCHEMBL12077072 0.82 NAMPT (0.62) NAMPTHDAC1HDAC3HDAC2HDAC10
SCHEMBL20095784 0.79 NAMPT (0.38) NAMPTHDAC1HDAC3HDAC2HDAC10
SCHEMBL21462020 0.78 NAMPT (0.38) NAMPTHDAC1HDAC3HDAC2HDAC10
SCHEMBL20095323 0.77 NAMPT (0.36) NAMPTHDAC1HDAC3HDAC2HDAC10
SCHEMBL12092504 0.74 NAMPT (0.57) NAMPTPLK1
SCHEMBL12076989 0.73 NAMPT (0.62) NAMPTHDAC1
SCHEMBL12077483 0.73 NAMPT (0.53) NAMPTHDAC1ROCK1CDC42BPAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931414-B2 Quaternized nicotinamide adenine dinucleotide salvage pathway inhibitor conjugates SEAGEN INC. (US) 2024-03-19 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEATTLE GENETICS, INC. (US) 2020-06-25 US disclosed
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2019-10-17 US 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 (4 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-11931414-B2 Quaternized nicotinamide adenine dinucleotide salvage pathway inhibitor conjugates NAMPT, NNMT, NADK NAMPT 1/4885HDAC1 152/4885HDAC3 175/4885
US-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK NAMPT 1/4885HDAC1 152/4885HDAC3 175/4885
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NME4, NNMT NAMPT 1/4885HDAC1 179/4885HDAC3 208/4885
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT NAMPT 1/4885HDAC1 179/4885HDAC3 208/4885

“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.