SCHEMBL20529256

SCHEMBL20529256

CC(C)(C)[Si](C)(C)OCc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGES O14684 4/20 0.38
TXNRD1 Q16881 1/20 0.34
IDO1 P14902 2/20 0.34
TDO2 P48775 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.33
LMNA P02545 3/20 0.33
RECQL P46063 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
CTSK P43235 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL5452217 0.85 MAPT (0.41) ALDH1A1MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL19405909 0.84 GPR35 (0.43) TDP1ALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL357298 0.83 ALDH1A1 (0.42) TDP1ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL8116981 0.81 ALDH1A1 (0.39) TDP1IDO1ALDH1A1MEN1KMT2A
SCHEMBL22128468 0.81 ALDH1A1 (0.40) IDO1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL571670 0.80 ATM (0.45) ATMTDP1PTGESTXNRD1IDO1
SCHEMBL5139318 0.79 KAT2B (0.39) TDP1IDO1ALDH1A1GAALMNA
SCHEMBL6205875 0.78 RXRA (0.44) TDP1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5913534 0.78 RXRA (0.44) TDP1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL20529353 0.78 HCAR3 (0.42) TDP1ALDH1A1MEN1RAB9AKMT2A

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 ATM 236/4885TDP1 2138/4885PTGES 2581/4885

“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.