SCHEMBL25399554

SCHEMBL25399554

COC(=O)C1(C(F)(F)c2ccccc2)CC(CNC(=O)c2nccc3ccccc23)=NO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CNR2 P34972 4/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
EPHX2 P34913 1/20 0.37
DGAT2 Q96PD7 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KMT2A Q03164 2/20 0.34

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
SCHEMBL25401055 0.82 CCR1 (0.39) RAB9AADORA2AADORA1CCR1
SCHEMBL25401048 0.82 CCR1 (0.39) RAB9AADORA2AADORA1CCR1
SCHEMBL25398647 0.79 RAB9A (0.50) RAB9ADRD2DRD3CNR2ADORA2A
SCHEMBL25400240 0.79 RAB9A (0.44) RAB9ADRD2DRD3CNR2ADORA2A
SCHEMBL24517967 0.79 KDM4A (0.36) DRD2HDAC1KMT2AMEN1
SCHEMBL25400039 0.79 RAB9A (0.44) RAB9ADRD2DRD3CNR2ADORA2A
SCHEMBL25400318 0.78 HDAC6 (0.32) CNR2HDAC6MAPT
SCHEMBL25398142 0.78 RAB9A (0.44) RAB9ADRD2DRD3CNR2ADORA2A
Hydrochloric Acid SCHEMBL25399273 0.76 NPC1 (0.34) RAB9AKMT2AMEN1MAPT
SCHEMBL29846424 0.75 RAB9A (0.43) RAB9ADRD2DRD3CNR2ADORA2A

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 4 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
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 RAB9A 715/4885DRD2 3947/4885DRD3 2757/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 RAB9A 931/4885DRD2 4736/4885DRD3 4461/4885

“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.