SCHEMBL30868602

SCHEMBL30868602

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3cccnc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.46
▸ BRD4 O60885 1/20 0.41
▸ SCN9A Q15858 9/20 0.40
▸ SLC40A1 Q9NP59 2/20 0.40
▸ TEAD1 P28347 1/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ UTRN P46939 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL24631201 1.00 TRPV1 (0.46) TRPV1BRD4SCN9ASLC40A1TEAD1
SCHEMBL24631413 0.89 TEAD1 (0.42) BRD4SCN9ATEAD1YAP1TNNI3K
SCHEMBL30868598 0.89 TEAD1 (0.42) BRD4SCN9ATEAD1YAP1TNNI3K
SCHEMBL30868500 0.87 TNNI3K (0.43) SCN9ATEAD1YAP1TNNI3KMEN1
SCHEMBL24631193 0.87 TNNI3K (0.43) SCN9ATEAD1YAP1TNNI3KMEN1
SCHEMBL24631203 0.82 BRD4 (0.39) BRD4SCN9ATEAD1YAP1UTRN
SCHEMBL30868590 0.82 BRD4 (0.39) BRD4SCN9ATEAD1YAP1UTRN
SCHEMBL24631116 0.82 MEN1 (0.39) BRD4SCN9ATEAD1YAP1TNNI3K
SCHEMBL29814319 0.82 MEN1 (0.39) BRD4SCN9ATEAD1YAP1TNNI3K
SCHEMBL30868586 0.81 ALOX5AP (0.42) BRD4SCN9ATEAD1YAP1TNNI3K

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 TRPV1 90/4885BRD4 161/4885SCN9A 353/4885

“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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