SCHEMBL25399344

SCHEMBL25399344

CC(C)C[C@H](NC(=O)C1CC(c2ccc(-c3ccccn3)cc2)=NO1)B(O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2C19 P33261 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PSMB5 P28074 1/20 0.41

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
SCHEMBL25399350 1.00 NPC1 (0.48) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL25399616 0.92 NPSR1 (0.49) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL25399623 0.92 NPSR1 (0.49) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL25401688 0.88 CA1 (0.55) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL25401694 0.88 CA1 (0.55) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL25399144 0.88 CA1 (0.57) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL25399140 0.88 CA1 (0.57) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL25398002 0.88 CA1 (0.46) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL25397995 0.88 CA1 (0.46) NPC1KMT2APOLBCYP2C19CYP1A2
SCHEMBL29846176 0.88 CA1 (0.46) NPC1KMT2APOLBCYP2C19CYP1A2

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 5 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
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 — — CN disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO 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 NPC1 208/4885KMT2A 2072/4885POLB 2583/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 NPC1 180/4885KMT2A 1197/4885POLB 2634/4885

“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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