SCHEMBL21982962

SCHEMBL21982962

CC(C)(N)CC(C)(C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

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
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA12 O43570 7/20 0.41
CA9 Q16790 7/20 0.41
EPHX1 P07099 1/20 0.41
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL2523550 0.85 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL23905247 0.85 TDP1 (0.47) TDP1MAOAMAOBMEN1GAA
Hydrochloric Acid SCHEMBL2523548 0.84 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL23745158 0.83 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL15612944 0.82 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL1164569 0.80 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL21687368 0.80 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL19155344 0.80 TDP1 (0.68) TDP1MAOAMAOBMEN1GAA
SCHEMBL28854600 0.80 TDP1 (0.46) TDP1MAOAMAOBMEN1GAA
SCHEMBL21687743 0.79 TDP1 (0.51) 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-10647686-B2 Substituted pyrimidines for preventing or treating cancer and inflammatory diseases KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-05-12 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-10647686-B2 Substituted pyrimidines for preventing or treating cancer and inflammatory diseases TGFBR1, TGFBR2, TGFB1 TDP1 961/4885MAOA 4159/4885MAOB 3953/4885

“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.