SCHEMBL29774455

SCHEMBL29774455

CSCC(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 1/20 0.45
HTT P42858 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 2/20 0.39
APLNR P35414 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
BCHE P06276 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL13855532 0.88 TDP1 (0.50) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL15468365 0.86 TDP1 (0.49) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL3341020 0.82 TDP1 (0.67) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL16800926 0.79 TDP1 (0.55) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL5213536 0.79 TDP1 (0.55) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL9573730 0.79 TDP1 (0.55) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL24098123 0.78 TDP1 (0.53) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL13767398 0.78 TDP1 (0.53) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL4648803 0.78 TDP1 (0.53) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL179226 0.78 TDP1 (0.53) TDP1MEN1GAAKMT2AEPHX1

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 3065/4885MEN1 504/4885GAA 4077/4885

“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.