SCHEMBL25274751

SCHEMBL25274751

Brc1ccc(N(c2ccc(Br)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BACE1 P56817 1/20 0.37
NOTUM Q6P988 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36

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
SCHEMBL23691297 0.90 HTT (0.43) HDAC8HDAC6HDAC1L3MBTL1LMNA
SCHEMBL21609716 0.88 HDAC8 (0.48) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL126116 0.88 HDAC8 (0.48) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL17061138 0.88 HDAC8 (0.48) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL3575917 0.85 HDAC8 (0.50) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL30056544 0.83 HDAC8 (0.48) HDAC8HDAC6HDAC1NPC1RAB9A
SCHEMBL21173567 0.82 SLC18A3 (0.46) L3MBTL1LMNAHTTALDH1A1KMT2A
SCHEMBL22522816 0.82 SLC18A3 (0.46) L3MBTL1LMNAHTTALDH1A1KMT2A
SCHEMBL20924752 0.82 SLC18A3 (0.46) L3MBTL1LMNAHTTALDH1A1KMT2A
SCHEMBL22618672 0.82 SLC18A3 (0.46) L3MBTL1LMNAHTTALDH1A1KMT2A

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
CN-116264784-A Polycyclic compound, light-emitting element and display device including the same 三星显示有限公司 2023-06-16 CN disclosed
US-20230189633-A1 POLYCYCLIC COMPOUND, LIGHT EMITTING ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20230189633-A1 POLYCYCLIC COMPOUND, LIGHT EMITTING ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20230189633-A1 POLYCYCLIC COMPOUND, LIGHT EMITTING ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US 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 (1 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-20230189633-A1 POLYCYCLIC COMPOUND, LIGHT EMITTING ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME USE1, EMC1, TMEM109 HDAC8 3057/4885HDAC6 4246/4885HDAC1 1255/4885

“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.