SCHEMBL20529151

SCHEMBL20529151

CC(C)Cn1c(=O)[nH]c2ccc(C=O)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.61
MAOB P27338 1/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
PGR P06401 4/20 0.39
DAO P14920 1/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL20529371 0.84 CYP1A2 (0.57) B3GNT2MAOBMEN1KMT2ACYP1A2
SCHEMBL20529343 0.81 PGR (0.45) B3GNT2MAOBMEN1KMT2ACYP1A2
SCHEMBL21839392 0.78 PGR (0.57) B3GNT2MAOBPGRKIF11POLB
SCHEMBL20529011 0.77 MAOB (0.39) B3GNT2MAOBMEN1KMT2ACYP1A2
SCHEMBL20529233 0.77 B3GNT2 (0.65) B3GNT2MAOBGRIN1GRIN2BMEN1
SCHEMBL15651338 0.75 LMNA (0.53) MAOBPGRDAOLMNABRD4
SCHEMBL2267066 0.75 CYP1A2 (0.67) B3GNT2MEN1KMT2ACYP1A2DAO
SCHEMBL20529030 0.73 B3GNT2 (0.74) B3GNT2GRIN1GRIN2BMEN1KMT2A
SCHEMBL8348807 0.72 DAO (0.59) B3GNT2GRIN1GRIN2BMEN1KMT2A
SCHEMBL19693877 0.72 CYP1A2 (0.57) MAOBMEN1KMT2ACYP1A2PGR

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 5 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
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN 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 B3GNT2 4826/4885MAOB 3985/4885GRIN1 4448/4885

“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.