SCHEMBL21478060

SCHEMBL21478060

C=C(CC(=O)NCCC)C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 2/20 0.37
CTSK P43235 2/20 0.36
MALT1 Q9UDY8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
BCHE P06276 2/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL20165518 0.81 MEN1 (0.49) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL61208 0.80 TDP1 (0.60) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL22871761 0.79 TDP1 (0.40) TDP1MEN1GAAKMT2AEPHX1
Hydrochloric Acid SCHEMBL27646037 0.79 TDP1 (0.58) TDP1MEN1GAAKMT2AEPHX1
Bromide SCHEMBL28241790 0.79 TDP1 (0.58) TDP1MEN1GAAKMT2AEPHX1
Ammonia Solution, Strong SCHEMBL6807094 0.79 TDP1 (0.58) TDP1MEN1GAAKMT2AEPHX1
Hydrochloric Acid SCHEMBL28763000 0.79 TDP1 (0.58) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL15244383 0.78 TDP1 (0.50) TDP1MEN1GAAKMT2AEPHX1
Hydrochloric Acid SCHEMBL5973455 0.77 TDP1 (0.56) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL20182548 0.77 MAOA (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889726-B2 Polymer having antimicrobial and/or antifouling properties ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-01-12 US disclosed
US-20190313642-A1 A SIMULTANEOUSLY ANTIMICROBIAL AND PROTEIN-REPELLENT POLYZWITTERION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2019-10-17 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-20190313642-A1 A SIMULTANEOUSLY ANTIMICROBIAL AND PROTEIN-REPELLENT POLYZWITTERION CUTA, WIZ, PUF60 TDP1 4499/4885MEN1 3882/4885GAA 4477/4885

“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.