SCHEMBL20095660

SCHEMBL20095660

O=C(O)CCCCCCCNc1c(Nc2ccncc2)c(=O)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.61
MAPKAPK2 P49137 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
FLT4 P35916 3/20 0.50
FES P07332 1/20 0.50
FGFR1 P11362 1/20 0.50
KDR P35968 1/20 0.50
CHEK2 O96017 5/20 0.48
PRKACA P17612 5/20 0.48
RPS6KB1 P23443 5/20 0.48

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
SCHEMBL20095662 0.86 HDAC1 (0.61) HDAC1MAPKAPK2HDAC3HDAC2HDAC10
SCHEMBL20095480 0.82 GSK3A (0.55) HDAC1MAPKAPK2HDAC3HDAC2HDAC10
SCHEMBL4023147 0.80 MAPKAPK2 (0.67) HDAC1MAPKAPK2CYP2C9FLT4FES
SCHEMBL21461992 0.80 HDAC1 (0.52) HDAC1MAPKAPK2HDAC3HDAC2HDAC10
SCHEMBL20095478 0.80 HDAC1 (0.48) HDAC1MAPKAPK2HDAC3HDAC2HDAC10
SCHEMBL4023781 0.78 GSK3A (0.65) HDAC1MAPKAPK2HDAC3HDAC2HDAC10
SCHEMBL20095638 0.78 HDAC1 (0.50) HDAC1MAPKAPK2HDAC3HDAC2HDAC10
SCHEMBL20095641 0.78 HDAC1 (0.47) HDAC1MAPKAPK2HDAC3HDAC2HDAC10
SCHEMBL4025437 0.78 FLT4 (0.62) HDAC1MAPKAPK2HDAC3HDAC2HDAC10
SCHEMBL4029781 0.78 FLT4 (0.62) HDAC1MAPKAPK2HDAC3HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240293554-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEAGEN INC (US) 2024-09-05 US disclosed
US-11931414-B2 Quaternized nicotinamide adenine dinucleotide salvage pathway inhibitor conjugates SEAGEN INC. (US) 2024-03-19 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEATTLE GENETICS, INC. (US) 2020-06-25 US disclosed
CN-110799217-A Quaternized nicotinamide adenine dinucleotide salvage pathway inhibitor conjugates 西雅图基因公司 2020-02-14 CN disclosed
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2019-10-17 US disclosed
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2019-10-17 US disclosed
WO-2018075600-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2018-04-26 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 (6 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 HDAC1 152/4885MAPKAPK2 790/4885HDAC3 175/4885
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT HDAC1 409/4885MAPKAPK2 892/4885HDAC3 430/4885
US-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK HDAC1 152/4885MAPKAPK2 790/4885HDAC3 175/4885
US-20240293554-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK HDAC1 152/4885MAPKAPK2 790/4885HDAC3 175/4885
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NME4, NNMT HDAC1 179/4885MAPKAPK2 740/4885HDAC3 208/4885
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT HDAC1 179/4885MAPKAPK2 740/4885HDAC3 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.