SCHEMBL30868560

SCHEMBL30868560

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc3nc(N)[nH]c23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.38
▸ BRD4 O60885 3/20 0.38
▸ TNNI3K Q59H18 2/20 0.38
▸ TEAD1 P28347 1/20 0.37
▸ YAP1 P46937 1/20 0.37
▸ SCN9A Q15858 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ AR P10275 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL27170895 1.00 BRAF (0.38) BRAFBRD4TNNI3KTEAD1YAP1
SCHEMBL30868540 0.81 BRD4 (0.45) BRAFBRD4TNNI3KMEN1ALOX15
SCHEMBL27170917 0.81 BRD4 (0.45) BRAFBRD4TNNI3KMEN1ALOX15
SCHEMBL24631169 0.77 MEN1 (0.41) BRD4TEAD1YAP1SCN9AMEN1
SCHEMBL30868558 0.76 SCN9A (0.47) BRD4SCN9A
SCHEMBL27170906 0.76 SCN9A (0.47) BRD4SCN9A
SCHEMBL30868575 0.75 ILK (0.43) —
SCHEMBL24631290 0.75 PTPN2 (0.52) TEAD1YAP1MEN1MAPK1KMT2A
SCHEMBL24631291 0.75 ILK (0.43) —
SCHEMBL30868593 0.75 BRD4 (0.39) BRAFBRD4TNNI3KTEAD1YAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2024-03-14 — — US 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-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS TEAD2, TEAD3, TEAD4 BRAF 2621/4885BRD4 161/4885TNNI3K 2098/4885

“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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