SCHEMBL20529326

SCHEMBL20529326

CN/N=C/c1ccc(OCCOC)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL20831347 0.85 MEN1 (0.56) GAAALDH1A1KDM4ELMNAKMT2A
SCHEMBL20530133 0.81 NPC1 (0.52) LMNAKMT2AMEN1MAPTPOLB
SCHEMBL12780080 0.78 CYP1A2 (0.61) GAAALDH1A1KDM4ELMNAKMT2A
SCHEMBL165300 0.78 CYP1A2 (0.61) GAAALDH1A1KDM4ELMNAKMT2A
SCHEMBL165299 0.78 CYP1A2 (0.61) GAAALDH1A1KDM4ELMNAKMT2A
SCHEMBL28353958 0.77 MEN1 (0.46) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL20024696 0.76 AHR (0.56) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8339774 0.75 MAPT (0.52) KDM4EMAPT
SCHEMBL16609588 0.75 KDM4E (0.68) GAAALDH1A1KDM4ELMNAKMT2A
SCHEMBL25583746 0.75 HDAC2 (0.60) GAAALDH1A1MAPT

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 GAA 4855/4885ALDH1A1 3397/4885KDM4E 1436/4885

“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.