SCHEMBL20529259

SCHEMBL20529259

COc1cc(/C=N/NCC2CCC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.45
ALDH1A1 P00352 2/20 0.42
GAA P10253 3/20 0.41
GFER P55789 1/20 0.40
BACE1 P56817 2/20 0.40
MPO P05164 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 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
SCHEMBL20529016 0.80 AMY1A (0.52) AMY1AALDH1A1GAAGFERBACE1
SCHEMBL29695575 0.80 AMY1A (0.52) AMY1AALDH1A1GAAGFERBACE1
SCHEMBL20529090 0.76 AMY1A (0.49) AMY1AALDH1A1GAABACE1MPO
SCHEMBL20529012 0.76 AMY1A (0.49) AMY1AALDH1A1GAABACE1MPO
SCHEMBL29695498 0.76 AMY1A (0.49) AMY1AALDH1A1GAAGFERBACE1
SCHEMBL20529156 0.76 AMY1A (0.49) AMY1AALDH1A1GAAGFERBACE1
SCHEMBL20529052 0.75 AMY1A (0.56) AMY1AALDH1A1GAAGFERBACE1
SCHEMBL20529230 0.74 AMY1A (0.47) AMY1AALDH1A1GAABACE1MPO
SCHEMBL28354031 0.74 AMY1A (0.52) AMY1AALDH1A1GAAGFERBACE1
SCHEMBL20529065 0.73 AMY1A (0.46) AMY1AALDH1A1GAABACE1MPO

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 4675/4885ALDH1A1 3397/4885GAA 4855/4885

“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.