SCHEMBL27008596

SCHEMBL27008596

CN(CCON(C(=O)CCCCCCNC(=O)Nc1ccncc1)C1CCCCC1)C(=O)c1cccc(NC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.43
ALDH1A1 P00352 2/20 0.39
PDE4A P27815 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PRMT3 O60678 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CCR3 P51677 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CDK4 P11802 1/20 0.35
CCND3 P30281 1/20 0.35
CASR P41180 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
SCHEMBL20095307 0.93 NAMPT (0.43) NAMPTALDH1A1PDE4ALMNAMAPT
SCHEMBL20095455 0.91 NAMPT (0.41) NAMPTALDH1A1LMNAMAPTHTT
SCHEMBL30292608 0.91 NAMPT (0.41) NAMPTALDH1A1LMNAMAPTHTT
SCHEMBL20095389 0.90 NAMPT (0.43) NAMPTALDH1A1PDE4ALMNAMAPT
SCHEMBL20095436 0.82 NAMPT (0.46) NAMPTALDH1A1LMNAMAPTPRMT3
SCHEMBL20095473 0.81 NAMPT (0.51) NAMPTALDH1A1LMNAMAPTPRMT3
SCHEMBL20095298 0.80 NAMPT (0.47) NAMPTPDE4A
SCHEMBL20095426 0.80 NAMPT (0.47) NAMPTPDE4A
SCHEMBL21462020 0.79 NAMPT (0.38) NAMPTALDH1A1LMNAMAPTHTT
SCHEMBL21461993 0.78 KMT2A (0.44) NAMPTALDH1A1MAPTHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 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 (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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT NAMPT 1/4885ALDH1A1 2101/4885PDE4A 1232/4885

“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.