SCHEMBL25400448

SCHEMBL25400448

COC(=O)C1(Cc2ccccc2)CC(CNC(=O)c2cccc(C)n2)=NO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ CTSA P10619 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL29846542 1.00 HPGD (0.40) HPGDALDH1A1P2RX7CYP1A2CYP2D6
SCHEMBL29846599 0.90 HPGD (0.39) HPGDALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL25401448 0.90 HPGD (0.39) HPGDALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL25396196 0.90 HPGD (0.42) HPGDALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29846694 0.89 P2RY12 (0.44) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL25401904 0.89 P2RY12 (0.44) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29846750 0.87 HPGD (0.38) HPGDALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL25399669 0.87 HPGD (0.38) HPGDALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL25398088 0.87 P2RX7 (0.42) HPGDALDH1A1P2RX7MMP13CA1
SCHEMBL29846467 0.87 P2RX7 (0.42) HPGDALDH1A1P2RX7MMP13CA1

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 HPGD 4573/4885ALDH1A1 3621/4885P2RX7 2717/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 HPGD 4467/4885ALDH1A1 2005/4885P2RX7 4082/4885

“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.

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