SCHEMBL23947127

SCHEMBL23947127

COc1cccc(Br)c1-c1ncccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
CASP6 P55212 1/20 0.44
PLAU P00749 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
G6PD P11413 1/20 0.38
GRM5 P41594 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
S100A4 P26447 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
PADI1 Q9ULC6 1/20 0.37
PADI3 Q9ULW8 1/20 0.37
PADI4 Q9UM07 1/20 0.37
PADI2 Q9Y2J8 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 1/20 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
SCHEMBL23175282 0.89 ALDH1A1 (0.48) NSD2CASP6PLAUALDH1A1ADRA2B
SCHEMBL29625828 0.89 ALDH1A1 (0.48) NSD2CASP6PLAUALDH1A1ADRA2B
SCHEMBL23946703 0.81 NSD2 (0.45) NSD2CASP6PLAUALDH1A1ADRA2B
SCHEMBL23946599 0.79 PLAU (0.42) NSD2CASP6PLAUGRM5ASIC3
SCHEMBL23946432 0.77 HSP90AA1 (0.42) NSD2CASP6ALDH1A1ADRA2BPTGS1
SCHEMBL2714237 0.74 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1S100A4
SCHEMBL30832982 0.74 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL28410071 0.74 MGAM (0.49) NSD2CASP6PLAUALDH1A1ADRA2B
SCHEMBL5568763 0.72 CA1 (0.48) ALDH1A1ADRA2BPTGS1TDP1LMNA
SCHEMBL23947339 0.72 CA1 (0.39) NSD2CASP6ALDH1A1ADRA2BPTGS1

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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
WO-2021210911-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-10-21 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 (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 NSD2 453/4885CASP6 2167/4885PLAU 4341/4885

“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.