SCHEMBL19487376

SCHEMBL19487376

C=C(NCCC=O)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.36
CTSK P43235 3/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA7 P43166 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8004 0.83 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL16627725 0.82 CTSK (0.46) MEN1GAAKMT2ACTSKCA1
SCHEMBL15339881 0.81 TDP1 (0.42) TDP1MAOAMAOBMEN1GAA
SCHEMBL17424314 0.79 MEN1 (0.41) TDP1MAOAMAOBMEN1GAA
SCHEMBL19487375 0.79 TDP1 (0.60) TDP1MAOAMAOBMEN1GAA
SCHEMBL17642036 0.77 MAOA (0.38) TDP1MAOAMAOBMEN1GAA
SCHEMBL19487377 0.77 MAOA (0.38) TDP1MAOAMAOBMEN1GAA
SCHEMBL23161058 0.77 CTSK (0.40) TDP1MAOAMAOBMEN1GAA
SCHEMBL4854621 0.76 TDP1 (0.39) TDP1MEN1GAAKMT2ACA1
SCHEMBL29290715 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 US disclosed
US-20150328207-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. 2015-11-19 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 (2 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-20150328207-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 TDP1 1159/4885MAOA 23/4885MAOB 18/4885
US-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 TDP1 3978/4885MAOA 4842/4885MAOB 4711/4885

“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.