SCHEMBL31366648

SCHEMBL31366648

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CTSS P25774 2/20 0.47
CTSK P43235 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
CA2 P00918 2/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
EGFR P00533 1/20 0.43
PGR P06401 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL26332989 1.00 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ECTSSCTSK
SCHEMBL31366490 0.92 KDM4E (0.49) ALDH1A1HPGDKDM4ECTSSCTSK
SCHEMBL21272261 0.91 MAPT (0.47) ALDH1A1HPGDKDM4ECTSSCTSK
SCHEMBL21272258 0.91 MAPT (0.47) ALDH1A1HPGDKDM4ECTSSCTSK
SCHEMBL26332912 0.90 CTSS (0.50) ALDH1A1HPGDKDM4ECTSSCTSK
SCHEMBL31366482 0.90 CTSS (0.50) ALDH1A1HPGDKDM4ECTSSCTSK
SCHEMBL31366578 0.89 CTSS (0.49) ALDH1A1HPGDKDM4ECTSSCTSK
SCHEMBL26332824 0.89 CTSS (0.49) ALDH1A1HPGDKDM4ECTSSCTSK
SCHEMBL25410798 0.88 MAPT (0.53) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL25410805 0.88 MAPT (0.53) ALDH1A1HPGDMEN1KMT2AMAPT

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 ALDH1A1 4616/4885HPGD 4668/4885KDM4E 224/4885

“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.