SCHEMBL20529253

SCHEMBL20529253

Cn1c(=O)n(C(=O)OC(C)(C)C)c2ccc(/C=N/NC(=O)OC(C)(C)C)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.54
▸ MIF P14174 1/20 0.53
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RECQL P46063 1/20 0.52
▸ MAPT P10636 9/20 0.51
▸ GAA P10253 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 7/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL20529032 0.86 KDM4E (0.51) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL20529083 0.86 KDM4E (0.51) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL20529237 0.77 KDM4E (0.55) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL20529372 0.75 KDM4E (0.34) KDM4ESMN1; SMN2MAPTGAAHTT
SCHEMBL5418830 0.74 CCNB2 (0.44) KDM4ESMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL23241901 0.73 MAPT (0.74) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL23241902 0.73 MAPT (0.74) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL13903541 0.72 MIF (0.68) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL20529148 0.72 KDM4E (0.49) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL28353831 0.71 LMNA (0.43) LMNA

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 1436/4885MIF 2467/4885SMN1; SMN2 3978/4885

“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.

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