SCHEMBL20729425

SCHEMBL20729425

C=C/C=C(\CC)N/C(=C\CO)CNC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 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
SCHEMBL19978199 0.80 CA1 (0.35) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL26026002 0.75 TDP1 (0.39) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL24890940 0.75 TDP1 (0.39) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL18939701 0.74 TDP1 (0.50) TDP1MEN1KMT2ATSHRMAOA
SCHEMBL22821066 0.71 TDP1 (0.41) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL4712142 0.71 TDP1 (0.47) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL15592200 0.70 TDP1 (0.46) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL19143260 0.69 MEN1 (0.41) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL24890937 0.69 MEN1 (0.41) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL18681191 0.69 IDO1 (0.43) TDP1MEN1KMT2AMAOAMAOB

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-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-02-14 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-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX TDP1 1201/4885MEN1 3988/4885KMT2A 796/4885

“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.