SCHEMBL20529052

SCHEMBL20529052

CN/N=C/c1ccc(F)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.56
MPO P05164 2/20 0.49
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
BACE1 P56817 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
MMP9 P14780 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GFER P55789 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL29695575 0.83 AMY1A (0.52) AMY1AMPOMAPTALDH1A1GAA
SCHEMBL28354031 0.83 AMY1A (0.52) AMY1AMPOMAPTALDH1A1GAA
SCHEMBL20529016 0.83 AMY1A (0.52) AMY1AMPOMAPTALDH1A1GAA
SCHEMBL23709478 0.80 NPC1 (0.49) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL18609201 0.80 MMP9 (0.67) AMY1AMPOMAPTALDH1A1GAA
SCHEMBL18726066 0.80 MMP9 (0.67) AMY1AMPOMAPTALDH1A1GAA
SCHEMBL31128655 0.79 AMY1A (0.59) AMY1AMPOMAPTALDH1A1BACE1
SCHEMBL26690778 0.79 AMY1A (0.59) AMY1AMPOMAPTALDH1A1BACE1
SCHEMBL20529012 0.79 AMY1A (0.49) AMY1AMPOMAPTALDH1A1GAA
SCHEMBL20529090 0.79 AMY1A (0.49) AMY1AMPOMAPTALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 EP disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 EP disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 WO 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-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 AMY1A 4675/4885MPO 4408/4885MAPT 1811/4885

“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.