SCHEMBL25325494

SCHEMBL25325494

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL25325553 0.88 KMT2A (0.39) KMT2AMEN1ALDH1A1POLBAKR1C3
SCHEMBL25323578 0.88 EPHX2 (0.42) KMT2AMEN1
SCHEMBL25322792 0.86 AKR1C3 (0.42) AKR1C3TP53
SCHEMBL25323735 0.85 SFRP1 (0.38) —
SCHEMBL25327912 0.83 AKR1C3 (0.40) KMT2AALDH1A1AKR1C3CHRM4
SCHEMBL25324457 0.83 GAA (0.39) KMT2AMEN1AKR1C3
SCHEMBL25326395 0.83 CACNA1B (0.35) KMT2AMEN1ALDH1A1
SCHEMBL25326299 0.81 CNR1 (0.46) KMT2AMEN1POLBAKR1C3LMNA
SCHEMBL25326196 0.80 AKR1C3 (0.39) KMT2AALDH1A1AKR1C3
SCHEMBL30720227 0.79 MGLL (0.57) KMT2AMEN1ALDH1A1POLBAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 KMT2A 1346/4885MEN1 2422/4885ALDH1A1 411/4885

“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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