SCHEMBL20174489

SCHEMBL20174489

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3-c3sc5ccccc5c3C43c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.37
S1PR4 O95977 7/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL20174514 0.91 ADORA2A (0.30) ALOX5
SCHEMBL20174499 0.89 S1PR5 (0.36) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL20174491 0.89 S1PR5 (0.37) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL20174497 0.88 CYP1A1 (0.40) S1PR5S1PR4KDM4EALDH1A1MEN1
SCHEMBL20174492 0.88 CYP1A1 (0.40) S1PR5S1PR4KDM4EALDH1A1MEN1
SCHEMBL20174452 0.88 L3MBTL1 (0.34) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL20174479 0.87 L3MBTL1 (0.32) ALOX5L3MBTL1HSP90AA1TSHR
SCHEMBL20179280 0.87 S1PR5 (0.37) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL20174493 0.87 S1PR5 (0.37) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL20174539 0.86 L3MBTL1 (0.31) L3MBTL1HSP90AA1

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 S1PR5 3034/4885S1PR4 1783/4885KDM4E 3633/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG S1PR5 3034/4885S1PR4 1783/4885KDM4E 3633/4885

“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.