SCHEMBL21133737

SCHEMBL21133737

NCCC(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.62
F7 P08709 1/20 0.60
F3 P13726 1/20 0.60
SARM1 Q6SZW1 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.60
SIRT6 Q8N6T7 1/20 0.60
SIRT1 Q96EB6 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60
SIRT5 Q9NXA8 1/20 0.60
SIRT4 Q9Y6E7 1/20 0.60
HDAC1 Q13547 3/20 0.59
HDAC8 Q9BY41 1/20 0.59
ALDH1A1 P00352 2/20 0.57
APP P05067 1/20 0.57
GAA P10253 1/20 0.57
HCAR3 P49019 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
PLOD3 O60568 1/20 0.56
PLOD1 Q02809 1/20 0.56
CTNNB1 P35222 1/20 0.54

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
SCHEMBL29963697 0.91 HDAC1 (0.63) PLOD2F7F3SARM1SIRT2
SCHEMBL17700981 0.91 HDAC1 (0.63) PLOD2F7F3SARM1SIRT2
SCHEMBL7075878 0.90 PLOD2 (0.69) PLOD2F7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL31026319 0.90 HDAC1 (0.61) PLOD2F7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL9490379 0.90 HDAC1 (0.61) PLOD2F7F3SARM1SIRT2
SCHEMBL9010434 0.90 HDAC1 (0.66) PLOD2F7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL2259124 0.88 HDAC1 (0.64) PLOD2F7F3SARM1SIRT2
SCHEMBL9763975 0.88 HDAC1 (0.68) PLOD2F7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL2259119 0.88 HDAC1 (0.64) PLOD2F7F3SARM1SIRT2
SCHEMBL29786297 0.86 PLOD2 (0.65) PLOD2F7F3SARM1SIRT2

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-10344046-B2 Nucleotide and oligonucleotide prodrugs SPRING BANK PHARMACEUTICALS, INC. (US) 2019-07-09 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-10344046-B2 Nucleotide and oligonucleotide prodrugs TYMP, PNP, DUT PLOD2 2975/4885F7 1951/4885F3 1932/4885

“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.