SCHEMBL24437339

SCHEMBL24437339

Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)On1nnc2ccccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HPSE Q9Y251 1/20 0.38
MAPK1 P28482 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.35
MAPK10 P53779 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL6777572 0.88 SIRT2 (0.46) MEN1NPC1GAARAB9AKMT2A
SCHEMBL24437376 0.81 HPSE (0.38) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3418695 0.74 GSK3B (0.42) MEN1NPC1GAARAB9AKMT2A
SCHEMBL23260703 0.74 SMN1; SMN2 (0.47) NPC1GAARAB9AKMT2AHPSE
SCHEMBL6428501 0.71 GSK3B (0.41) MEN1NPC1GAARAB9AKMT2A
SCHEMBL21316476 0.71 NAMPT (0.46) MEN1NPC1GAARAB9AKMT2A
SCHEMBL1986577 0.71 GSK3B (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL7079271 0.70 RPS6KA3 (0.43) KMT2A
SCHEMBL3415059 0.70 GSK3B (0.39)
SCHEMBL25734944 0.70 HPSE (0.50) MEN1NPC1RAB9AKMT2AHPSE

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-20220153727-A1 METHOD FOR PRODUCING PYRROLE-IMIDAZOLE (POLY)AMIDE KANEKA CORPORATION (JP) 2022-05-19 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-20220153727-A1 METHOD FOR PRODUCING PYRROLE-IMIDAZOLE (POLY)AMIDE DDC, PAM, AADAC MEN1 3539/4885NPC1 4631/4885GAA 2661/4885

“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.