SCHEMBL25622804

SCHEMBL25622804

COc1cc(Cl)cc(Br)c1-c1cc[n+](C)cc1N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV4 Q9HBA0 1/20 0.34
PKM P14618 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HDAC8 Q9BY41 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL25622825 0.81 ACHE (0.36) POLBL3MBTL1PKMMAPTMEN1
SCHEMBL23947579 0.74 CYP1A1 (0.40) POLBL3MBTL1GAAHSP90AA1HSP90AB1
SCHEMBL23947203 0.71 CYP1A2 (0.44) POLBL3MBTL1GAAHSP90AA1HSP90AB1
SCHEMBL23947106 0.69 NSD2 (0.42) L3MBTL1MAPTMEN1KMT2ANPC1
SCHEMBL30254383 0.67 MAPT (0.53) POLBL3MBTL1TRPV4MAPTGAA
SCHEMBL16047636 0.67 MAPT (0.53) POLBL3MBTL1TRPV4MAPTGAA
SCHEMBL23946703 0.66 NSD2 (0.45) POLBL3MBTL1MAPTMEN1LMNA
SCHEMBL585492 0.63 TRPV4 (0.50) POLBL3MBTL1TRPV4MAPTMEN1
SCHEMBL29359707 0.63 TRPV4 (0.50) POLBL3MBTL1TRPV4MAPTMEN1
SCHEMBL264507 0.63 ERN1 (0.40) POLBL3MBTL1TRPV4MAPTGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY2, CYBA, AHR POLB 2421/4885L3MBTL1 110/4885TRPV4 2762/4885

“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.