SCHEMBL25409598

SCHEMBL25409598

CC[C@H](C)[C@H]1NC(=O)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1G O43497 1/20 0.32
SOAT1 P35610 6/20 0.31
SOAT2 O75908 4/20 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
SCHEMBL25409601 1.00 KDM4E (0.41) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL24569208 1.00 KDM4E (0.41) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL13483477 1.00 KDM4E (0.41) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1220742 1.00 KDM4E (0.41) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL25408926 1.00 KDM4E (0.41) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL25410073 0.82
SCHEMBL25411698 0.82
SCHEMBL2071787 0.79 ABCB1 (0.32)
SCHEMBL4652277 0.79 ABCB1 (0.32)
SCHEMBL8923368 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE 2025-06-19 US disclosed
CN-119072467-A Novel diazapine compounds targeting yellow fever virus non-structural 4B (NS 4B) protein and methods of use thereof 巴鲁克斯布伦博格研究所 2024-12-03 CN disclosed
WO-2023172726-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-09-14 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-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE CUL4B, BRD4, CUL4A KDM4E 224/4885ALDH1A1 4616/4885CYP3A4 113/4885

“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.