SCHEMBL20529092

SCHEMBL20529092

CCn1c(=O)[nH]c2ccc(/C=N/NC(=O)OC(C)(C)C)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ MAPT P10636 8/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ MIF P14174 1/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KMT2A Q03164 7/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PGR P06401 1/20 0.39

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
SCHEMBL20529237 0.86 KDM4E (0.55) KDM4EMAPTRAB9ANPC1MIF
SCHEMBL20529146 0.85 MEN1 (0.46) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL20529114 0.83 KDM4E (0.52) KDM4EMAPTRAB9ANPC1MIF
SCHEMBL20529363 0.80 MEN1 (0.49) KDM4EMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL20529242 0.79 MEN1 (0.48) KDM4EMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL20529083 0.78 KDM4E (0.51) KDM4EMAPTRAB9ANPC1MIF
SCHEMBL21839403 0.75 MAOB (0.45) KDM4EMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL23241901 0.71 MAPT (0.74) KDM4EMAPTRAB9ANPC1MIF
SCHEMBL23241902 0.71 MAPT (0.74) KDM4EMAPTRAB9ANPC1MIF
SCHEMBL20529371 0.71 CYP1A2 (0.57) SMN1; SMN2KMT2ALMNAMEN1CYP1A2

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 KDM4E 1436/4885MAPT 1811/4885RAB9A 285/4885

“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.

Send feedback