Alrestatin

Alrestatin

SCHEMBL31745280

O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 5/20 1.00
HPGD P15428 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
CYP1A2 P05177 2/20 1.00
MAPT P10636 1/20 1.00
AKR1B1 P15121 1/20 1.00
ALOX15 P16050 1/20 1.00
HSD17B10 Q99714 1/20 1.00
CA12 O43570 1/20 0.70
CA9 Q16790 1/20 0.70
HEXA P06865 2/20 0.62
HEXB P07686 2/20 0.62
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
LMNA P02545 1/20 0.61
CYP1B1 Q16678 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
GAA P10253 1/20 0.58

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
Alrestatin SCHEMBL450743 1.00 KDM4E (1.00) KDM4EALDH1A1HPGDMEN1KMT2A
Alrestatin SCHEMBL636522 0.98 KDM4E (0.97) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11391369 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11181448 0.88 KDM4E (0.79) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL1413250 0.85 KDM4E (0.74) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19886995 0.84 KDM4E (0.72) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30097999 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4582152 0.83 MEN1 (0.82) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL860250 0.83 CA12 (0.70) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29744481 0.83 CA12 (1.00) KDM4EALDH1A1HPGDMEN1KMT2A

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-20250381202-A1 PRODRUG KIT FOR MULTI-PRONGED CHEMOTHERAPY ZOUNEK ALEX (DE) 2025-12-18 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-20250381202-A1 PRODRUG KIT FOR MULTI-PRONGED CHEMOTHERAPY KIT, CTSL, PAICS KDM4E 2995/4885ALDH1A1 1779/4885HPGD 3191/4885

“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.