SCHEMBL20529353

SCHEMBL20529353

CCCNc1cc(CO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.42
MAPT P10636 10/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
KAT2B Q92831 2/20 0.39
LMNA P02545 3/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
HTR6 P50406 1/20 0.37
ALPG P10696 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
SCHEMBL20529168 0.79 LMNA (0.32) LMNA
SCHEMBL5452217 0.79 MAPT (0.41) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL20529256 0.78 ATM (0.44) MAPTALDH1A1RAB9ALMNAHTT
SCHEMBL19405909 0.78 GPR35 (0.43) MAPTALDH1A1PKMLMNANPSR1
SCHEMBL357298 0.77 ALDH1A1 (0.42) MAPTALDH1A1PKMLMNAHTT
SCHEMBL20529066 0.76 HCAR3 (0.53) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL8116981 0.75 ALDH1A1 (0.39) MAPTALDH1A1PKMLMNAHTT
SCHEMBL22128468 0.75 ALDH1A1 (0.40) MAPTALDH1A1PKMNPC1RAB9A
SCHEMBL1514945 0.74 KAT2B (0.44) MAPTALDH1A1PKMNPC1RAB9A
SCHEMBL5463384 0.73 NPC1 (0.41) MAPTALDH1A1NPC1RAB9ALMNA

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 HCAR3 3272/4885MAPT 1811/4885ALDH1A1 3397/4885

“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.