SCHEMBL31501686

SCHEMBL31501686

O=S1(=O)CCNc2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NOX1 Q9Y5S8 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CA2 P00918 2/20 0.34
PDE7A Q13946 1/20 0.34
PDE7B Q9NP56 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PLCG1 P19174 1/20 0.32
MMP2 P08253 2/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL16477920 1.00 MEN1 (0.34) MEN1KMT2ANOX1GAAKDM4E
SCHEMBL15672895 0.75 KMT2A (0.41) MEN1KMT2ANOX1KDM4ECA2
SCHEMBL29144954 0.71 GAA (0.54) MEN1KMT2ANOX1GAAKDM4E
SCHEMBL29408147 0.71 GAA (0.54) MEN1KMT2ANOX1GAAKDM4E
SCHEMBL123812 0.71 GAA (0.54) MEN1KMT2ANOX1GAAKDM4E
SCHEMBL88679 0.71 PLCG1 (0.48) MEN1KMT2ANOX1GAAKDM4E
SCHEMBL4558206 0.71 NPC1 (0.44) MEN1KMT2ANOX1GAAKDM4E
Hydrochloric Acid SCHEMBL7829799 0.69 GAA (0.52) MEN1KMT2ANOX1GAAKDM4E
SCHEMBL17758260 0.69 GAA (0.52) MEN1KMT2ANOX1GAAKDM4E
SCHEMBL17758261 0.69 GAA (0.52) MEN1KMT2ANOX1GAAKDM4E

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-20250066358-A1 Inhibitors of Menin-MLL Interaction BALA THERAPEUTICS, INC. 2025-02-27 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-20250066358-A1 Inhibitors of Menin-MLL Interaction MLLT1, MEN1, BMI1 MEN1 2/4885KMT2A 8/4885NOX1 3030/4885

“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.