SCHEMBL25400405

SCHEMBL25400405

COC(=O)C1(Cc2ccccc2)CC(CNC(=O)c2cnc(C)cn2)=NO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PSMB5 P28074 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL29846663 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP1A2CYP2C19POLB
SCHEMBL25398251 0.88 POLB (0.48) ALDH1A1CYP1A2CYP2C19POLBCYP3A4
SCHEMBL29846640 0.88 POLB (0.48) ALDH1A1CYP1A2CYP2C19POLBCYP3A4
SCHEMBL29846753 0.87 EGFR (0.45) ALDH1A1L3MBTL1CYP1A2CYP2C19POLB
SCHEMBL25401808 0.87 EGFR (0.45) ALDH1A1L3MBTL1CYP1A2CYP2C19POLB
SCHEMBL25403157 0.87 POLB (0.48) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL29846542 0.86 HPGD (0.40) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL25400448 0.86 HPGD (0.40) ALDH1A1CYP1A2CYP2C19HPGDCYP2D6
SCHEMBL25397863 0.85 CHRM1 (0.41) ALDH1A1L3MBTL1HPGDLMNANPC1
SCHEMBL25400794 0.85 CYP1A2 (0.57) ALDH1A1CYP1A2CYP2C19POLBHPGD

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-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 — — US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 — — US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 — — EP 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 (2 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 ALDH1A1 3621/4885L3MBTL1 393/4885CYP1A2 1381/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ALDH1A1 2005/4885L3MBTL1 599/4885CYP1A2 2451/4885

“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.

Send feedback