SCHEMBL21716901

SCHEMBL21716901

c1cc(-c2nc3ccccc3nc2-c2cc3ccccc3c3ccccc23)cc(-n2c3ccccc3c3cc4c(-n5c6ccccc6c6c7ccccc7ccc65)cccc4cc32)c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
NPY2R P49146 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL21716818 0.93 GSR (0.36) GSRMAPTMEN1GAAKMT2A
SCHEMBL21716903 0.93 GSR (0.33) GSRTDP1NPC1ALDH1A1LMNA
SCHEMBL21716239 0.92 PTGES (0.34) GSRNPC1ALDH1A1LMNAMAPT
SCHEMBL21716957 0.91 GSR (0.39) GSRSMN1; SMN2MEN1GAAKMT2A
SCHEMBL21717019 0.90 TDP1 (0.33) GSRTDP1MEN1GAAKMT2A
SCHEMBL21716696 0.87 ALOX5 (0.32)
SCHEMBL21716694 0.87 ALOX5 (0.30)
SCHEMBL21716819 0.87 GSR (0.36) GSRTDP1ALDH1A1LMNAMEN1
SCHEMBL21716265 0.85 GSR (0.39) GSRTDP1ALDH1A1MEN1GAA
SCHEMBL21716460 0.85 GSR (0.37) GSRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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 (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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 GSR 3951/4885TDP1 1382/4885NPC1 2005/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885TDP1 1382/4885NPC1 2005/4885

“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.