SCHEMBL21756460

SCHEMBL21756460

CC(C)(C)OC(=O)NCCCCCN=[N+]=[N-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 6/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 4/20 0.39

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
SCHEMBL29991492 1.00 TDP1 (0.61) TDP1MAOAMAOBCA12CA1
SCHEMBL14136077 1.00 TDP1 (0.61) TDP1MAOAMAOBCA12CA1
SCHEMBL15798200 0.98 TDP1 (0.58) TDP1MAOAMAOBCA12CA1
SCHEMBL13752093 0.94 TDP1 (0.56) TDP1MAOAMAOBCA12CA1
SCHEMBL21107166 0.93 TDP1 (0.54) TDP1MAOAMAOBCA12CA1
SCHEMBL21106609 0.92 TDP1 (0.52) TDP1MAOAMAOBCA12CA1
SCHEMBL25957539 0.92 TDP1 (0.52) TDP1MAOAMAOBCA12CA1
SCHEMBL25770348 0.91 TDP1 (0.51) TDP1MAOAMAOBCA12CA1
SCHEMBL25756346 0.90 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL25756209 0.88 TDP1 (0.48) TDP1MAOAMAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576924-B2 Compounds for the prevention and treatment of diseases and the use thereof GALECTIN SCIENCES, LLC (US) 2023-02-14 US disclosed
US-20200155586-A1 Compounds for the Prevention and Treatment of Diseases and the Use Thereof GALECTIN SCIENCES, LLC 2020-05-21 US disclosed
US-20200061095-A1 Compounds for the Treatment of Systemic Insulin Resistance Disorders and the Use Thereof GALECTIN SCIENCES, LLC 2020-02-27 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 (3 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-20200155586-A1 Compounds for the Prevention and Treatment of Diseases and the Use Thereof LGALS1, LGALS3BP, LGALS2 TDP1 1922/4885MAOA 4281/4885MAOB 3767/4885
US-11576924-B2 Compounds for the prevention and treatment of diseases and the use thereof LGALS1, LGALS3BP, LGALS2 TDP1 1922/4885MAOA 4281/4885MAOB 3767/4885
US-20200061095-A1 Compounds for the Treatment of Systemic Insulin Resistance Disorders and the Use Thereof LGALS1, LGALS2, LGALS4 TDP1 3081/4885MAOA 4848/4885MAOB 4024/4885

“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.