SCHEMBL25401359

SCHEMBL25401359

CCOC(=O)C1CC(CNC(=O)c2cnccn2)=NO1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ RAB9A P51151 4/20 0.45
▸ KMT2A Q03164 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38

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
SCHEMBL29846557 1.00 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKMT2ANPC1POLB
SCHEMBL25399160 0.85 HPGD (0.43) SMN1; SMN2RAB9AKMT2ANPC1POLB
SCHEMBL29846876 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AKMT2ANPC1POLB
SCHEMBL25398627 0.81 CYP2C19 (0.47) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL25402422 0.78 MEN1 (0.46) SMN1; SMN2RAB9AKMT2ANPC1POLB
SCHEMBL29847138 0.76 PSMB5 (0.44) SMN1; SMN2RAB9AKMT2APOLBMEN1
SCHEMBL25400323 0.75 EPHX2 (0.46) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL25396776 0.75 RAB9A (0.44) RAB9AKMT2AMEN1KDM4ETP53
SCHEMBL25400595 0.75 PSMB5 (0.59) SMN1; SMN2
SCHEMBL25399266 0.74 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4ETP53

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 SMN1; SMN2 777/4885RAB9A 715/4885KMT2A 2072/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 SMN1; SMN2 213/4885RAB9A 931/4885KMT2A 1197/4885

“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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