SCHEMBL31578956

SCHEMBL31578956

CCS(=O)(=O)N1CCN(C(C)Cn2c(C#N)cc3c(C)c(C=O)ccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 8/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25726812 1.00 KDM4E (0.36) KDM4ETSHRMCL1MEN1ALDH1A1
SCHEMBL25436592 0.96 KDM4E (0.34) KDM4ETSHRMCL1MEN1
SCHEMBL31578886 0.93 MEN1 (0.32) KDM4ETSHRMCL1MEN1ALDH1A1
SCHEMBL25337054 0.92 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL25337050 0.92 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL30405349 0.92 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL30405771 0.92 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL25726854 0.91 PRKCQ (0.32) ALDH1A1
SCHEMBL30404914 0.90 IRAK4 (0.32) MEN1
SCHEMBL30405848 0.89 MEN1 (0.33) MEN1

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-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 (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-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, BMI1 KDM4E 136/4885TSHR 4606/4885MCL1 22/4885

“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.