SCHEMBL21462035

SCHEMBL21462035

CC(C)(C)OC(=O)NCC(C(=O)NCCC(=O)Nc1cc(COC(=O)Nc2cccc(C(=O)N3CCC(CCCCNC(=O)/C=C/c4cccnc4)CC3)c2)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)N1C(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.47
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
VHL P40337 6/20 0.34

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
SCHEMBL20095375 1.00 NAMPT (0.47) NAMPTCYP3A4CYP2C9VHL
SCHEMBL25634793 0.95 NAMPT (0.47) NAMPTCYP3A4CYP2C9VHL
SCHEMBL21470681 0.93 NAMPT (0.47) NAMPTCYP3A4CYP2C9VHL
SCHEMBL21461991 0.93 NAMPT (0.47) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095316 0.93 NAMPT (0.47) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095452 0.92 NAMPT (0.45) NAMPTCYP3A4CYP2C9VHL
SCHEMBL21461988 0.92 NAMPT (0.45) NAMPTCYP3A4CYP2C9VHL
SCHEMBL25633166 0.88 NAMPT (0.47) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095432 0.88 NAMPT (0.45) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095603 0.87 NAMPT (0.54) NAMPTCYP3A4CYP2C9VHL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 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 (2 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-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NME4, NNMT NAMPT 1/4885CYP3A4 4869/4885CYP2C9 4851/4885
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT NAMPT 1/4885CYP3A4 4869/4885CYP2C9 4851/4885

“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.