SCHEMBL21397047

SCHEMBL21397047

N#Cc1ccc(N2c3ccccc3Sc3ccccc32)cc1-c1cc(N2c3ccccc3Sc3ccccc32)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
PDE4D Q08499 1/20 0.33
GRM5 P41594 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
AR P10275 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
MAOA P21397 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
SCHEMBL19344993 0.86 HDAC6 (0.42) HDAC6FNTAFNTBMEN1KMT2A
SCHEMBL21397129 0.83 GRIA1 (0.33) GRIA1GRIA3PDE4DGRM5ALDH1A1
SCHEMBL21397200 0.81 AR (0.41) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL21397028 0.81 GRIA1 (0.34) GRIA1GRIA3PDE4DGRM5ALDH1A1
SCHEMBL21397036 0.80 FNTA (0.36) HDAC6FNTAFNTBALDH1A1SMN1; SMN2
SCHEMBL21396738 0.80 AR (0.37) GRIA1GRIA3PDE4DGRM5GABRA1
SCHEMBL19345275 0.77 HDAC6 (0.42) HDAC6FNTAFNTBMEN1KMT2A
SCHEMBL21396726 0.77 AR (0.33) GRIA1GRIA3PDE4DAR
SCHEMBL21927265 0.74 GRM5 (0.38) GRM5ALDH1A1
SCHEMBL21927636 0.73 GRM5 (0.35) GRM5MEN1KMT2AALDH1A1SMN1; SMN2

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 HDAC6 4149/4885FNTA 2086/4885FNTB 1931/4885

“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.