SCHEMBL25399623

SCHEMBL25399623

CC(C)CC(NC(=O)C1CC(c2cccc(-c3ccccn3)c2)=NO1)B(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP2C19 P33261 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PSMB5 P28074 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSK P43235 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
SCHEMBL25399616 1.00 NPSR1 (0.49) NPSR1CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL25399344 0.92 NPC1 (0.48) NPSR1CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL25399350 0.92 NPC1 (0.48) NPSR1CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL25399613 0.89 NPSR1 (0.53) NPSR1CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL25399609 0.89 NPSR1 (0.53) NPSR1CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL29846945 0.87 NPSR1 (0.50) NPSR1CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL25399140 0.86 CA1 (0.57) NPSR1CYP2C19CYP3A4LMNACYP1A2
SCHEMBL25399144 0.86 CA1 (0.57) NPSR1CYP2C19CYP3A4LMNACYP1A2
SCHEMBL25400691 0.85 NPSR1 (0.54) NPSR1CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL25401694 0.84 CA1 (0.55) NPSR1CYP2C19LMNACYP1A2TSHR

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 NPSR1 2598/4885CYP2C19 2008/4885CYP3A4 1946/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 NPSR1 4263/4885CYP2C19 2880/4885CYP3A4 3383/4885

“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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