SCHEMBL25399129

SCHEMBL25399129

OCCNCc1cc(Cl)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 3/20 0.56
KMT2A Q03164 3/20 0.54
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 1/20 0.51
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.46
STAT3 P40763 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
CHRM2 P08172 1/20 0.42

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
SCHEMBL16467121 0.87 KMT2A (0.62) CYP1A2CYP2D6KMT2ALMNAALDH1A1
SCHEMBL16791829 0.84 OXTR (0.56) CYP1A2CYP2D6KMT2ALMNAALDH1A1
SCHEMBL11238764 0.81 HTT (0.46) CYP1A2CYP2D6LMNAALDH1A1HTT
SCHEMBL9097242 0.79 CHRM2 (0.66) CYP1A2CYP2D6KMT2ALMNAALDH1A1
SCHEMBL11777653 0.78 CYP1A2 (0.68) CYP1A2CYP2D6KMT2ALMNAALDH1A1
SCHEMBL4240375 0.78 ALOX5AP (0.46) CYP1A2CYP2D6KMT2ALMNAALDH1A1
SCHEMBL18685158 0.77 BCHE (0.48) CYP1A2CYP2D6ALDH1A1CYP2C9HTT
SCHEMBL6582712 0.76 CYP3A4 (0.43) KMT2ALMNAALDH1A1CYP2C9MEN1
SCHEMBL1560923 0.74 CYP3A4 (0.45) CYP1A2KMT2ALMNAALDH1A1CYP2C9
SCHEMBL92968 0.73 CYP3A4 (0.48) CYP1A2KMT2ALMNAALDH1A1CYP2C9

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 CYP1A2 1381/4885CYP2D6 439/4885KMT2A 2072/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 CYP1A2 2451/4885CYP2D6 1961/4885KMT2A 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.