SCHEMBL31366508

SCHEMBL31366508

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
EGFR P00533 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
AAK1 Q2M2I8 2/20 0.46
CA2 P00918 2/20 0.45
FPR2 P25090 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL26333064 1.00 MEN1 (0.51) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL31366482 0.90 CTSS (0.50) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL26332912 0.90 CTSS (0.50) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL26332824 0.90 CTSS (0.49) MEN1KMT2AEGFRALDH1A1HTT
SCHEMBL31366578 0.90 CTSS (0.49) MEN1KMT2AEGFRALDH1A1HTT
SCHEMBL26332989 0.88 ALDH1A1 (0.49) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL31366648 0.88 ALDH1A1 (0.49) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL25411211 0.87 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL25411209 0.87 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL31366515 0.83 CTSS (0.48) MEN1KMT2AEGFRALDH1A1MAPT

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-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

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 MEN1 4195/4885KMT2A 993/4885EGFR 4545/4885

“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.