SCHEMBL30868556

SCHEMBL30868556

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc3c2OCC(=O)N3)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 3/20 0.37
▸ PKLR P30613 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ KIF11 P52732 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 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
SCHEMBL24631196 1.00 BRD4 (0.38) BRD4LMNASMN1; SMN2PKMPKLR
SCHEMBL30868583 0.83 LMNA (0.42) BRD4LMNASMN1; SMN2PKMKIF11
SCHEMBL30868578 0.83 LMNA (0.48) LMNASMN1; SMN2PKMABL1MAPK1
SCHEMBL24631313 0.83 LMNA (0.48) LMNASMN1; SMN2PKMABL1MAPK1
SCHEMBL24631405 0.83 LMNA (0.42) BRD4LMNASMN1; SMN2PKMKIF11
SCHEMBL24631163 0.76 KIF11 (0.45) BRD4PKMPKLRKIF11
SCHEMBL30868613 0.76 KIF11 (0.45) BRD4PKMPKLRKIF11
SCHEMBL30868540 0.75 BRD4 (0.45) BRD4MAPK1KMT2A
SCHEMBL27170917 0.75 BRD4 (0.45) BRD4MAPK1KMT2A
SCHEMBL30868560 0.72 BRAF (0.38) BRD4LMNASMN1; SMN2MAPK1KMT2A

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 BRD4 161/4885LMNA 4282/4885SMN1; SMN2 3936/4885

“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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