SCHEMBL20174591

SCHEMBL20174591

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5c4sc4ccccc54)n3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.33
TSHR P16473 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
HSP90AA1 P07900 1/20 0.31
SLC9A1 P19634 1/20 0.31
ATM Q13315 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20174635 0.94 SLC9A1 (0.32) ADORA2AADORA1SLC9A1
SCHEMBL20174613 0.92 S1PR5 (0.36) L3MBTL1TSHRSLC9A1ATMKDM4E
SCHEMBL20174564 0.90 SLC9A1 (0.33) L3MBTL1TSHRADORA3ALOX15ADORA2A
SCHEMBL20174576 0.88 MAPT (0.33) L3MBTL1TSHRADORA3ADORA2AADORA1
SCHEMBL20174567 0.88 PDK2 (0.38) L3MBTL1ALDH1A1MAPTHPGDMEN1
SCHEMBL20174737 0.88 PDK2 (0.36) L3MBTL1SLC9A1KDM4EALDH1A1MAPT
SCHEMBL20174602 0.88 PDK2 (0.36) L3MBTL1SLC9A1KDM4EALDH1A1MAPT
SCHEMBL20174603 0.88 PDK2 (0.33) L3MBTL1ALDH1A1MAPTHPGDMEN1
SCHEMBL20174597 0.87 MEN1 (0.37) ADORA2AADORA1SLC9A1KDM4EALDH1A1
SCHEMBL19008468 0.87 MEN1 (0.35) L3MBTL1ADORA2AADORA1HSP90AA1SLC9A1

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG L3MBTL1 2838/4885TSHR 2800/4885ADORA3 4030/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG L3MBTL1 2838/4885TSHR 2800/4885ADORA3 4030/4885

“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.