SCHEMBL31579098

SCHEMBL31579098

Cc1c(C=O)ccc2c1cc(C#N)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ SRC P12931 2/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ HTR6 P50406 9/20 0.35
▸ PPME1 Q9Y570 2/20 0.33
▸ APEH P13798 1/20 0.33
▸ CXCL8 P10145 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ AGTR1 P30556 1/20 0.33

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
SCHEMBL31578890 0.89 PTGDR (0.37) PTGDRPTGDR2SRCBRD4HTR6
SCHEMBL31579010 0.83 PTGDR (0.39) PTGDRPTGDR2SRCBRD4HTR6
SCHEMBL25423168 0.79 SRC (0.41) PTGDRPTGDR2SRCBRD4HTR6
SCHEMBL25420154 0.73 MTNR1B (0.54) SRCHTR6
SCHEMBL25424320 0.73 HTR6 (0.39) PTGDRPTGDR2SRCHTR6
SCHEMBL30405736 0.73 HTR6 (0.39) PTGDRPTGDR2SRCHTR6
SCHEMBL25811440 0.71 PTGDR2 (0.46) KDM4EUBE2NPTGDRPTGDR2SRC
SCHEMBL25421448 0.71 CA12 (0.51) SRCHTR6CXCL8NOD1PPARG
SCHEMBL2131849 0.70 KDM4E (0.47) KDM4EUBE2NPTGDRPTGDR2SRC
SCHEMBL30406055 0.70 ALDH1A1 (0.42) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022120-A1 Inhibitors of MENIN-MLL Interaction BALA THERAPEUTICS INC (US) 2026-01-22 — — US disclosed
US-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. 2025-05-22 — — 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 (2 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-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, BMI1 KDM4E 136/4885UBE2N 1614/4885PTGDR 4314/4885
US-20260022120-A1 Inhibitors of MENIN-MLL Interaction MEN1, MLLT1, MLLT3 KDM4E 75/4885UBE2N 1052/4885PTGDR 4531/4885

“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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