SCHEMBL29774471

SCHEMBL29774471

CSCCNCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.44
HTT P42858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
IDO1 P14902 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
BCHE P06276 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5213536 0.89 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL9998912 0.87 TDP1 (0.60) TDP1MAOAMAOBMEN1GAA
SCHEMBL631719 0.87 TDP1 (0.60) TDP1MAOAMAOBMEN1GAA
SCHEMBL20801639 0.87 TDP1 (0.60) TDP1MAOAMAOBMEN1GAA
SCHEMBL21245037 0.82 TDP1 (0.51) TDP1MAOAMAOBMEN1GAA
SCHEMBL15341660 0.82 TDP1 (0.61) TDP1MAOAMAOBMEN1GAA
SCHEMBL3341020 0.81 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL19646831 0.80 TDP1 (0.62) TDP1MAOAMAOBMEN1GAA
SCHEMBL10050077 0.80 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL13247413 0.80 MAOA (0.63) TDP1MAOAMAOBMEN1GAA

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-20220257781-A1 POLYMER CONJUGATE BONDED TO TERTIARY AMINE COMPOUND OR IMINE COMPOUND AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-08-18 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-20220257781-A1 POLYMER CONJUGATE BONDED TO TERTIARY AMINE COMPOUND OR IMINE COMPOUND AND PRODUCTION METHOD THEREFOR ODC1, DOHH, SMYD2 TDP1 3065/4885MAOA 1033/4885MAOB 877/4885

“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.