SCHEMBL20174461

SCHEMBL20174461

c1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4c-5sc5ccccc45)cc3)cc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
ALDH1A1 P00352 7/20 0.34
HPGD P15428 7/20 0.34
NTSR1 P30989 1/20 0.34
KDM4E B2RXH2 5/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL20174442 0.92 MEN1 (0.36) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20174538 0.91 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20174446 0.91 MAPT (0.36) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20174451 0.89 MEN1 (0.34) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20174496 0.88 CYP1A1 (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20174453 0.87 MEN1 (0.33) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20174500 0.87 CYP1A1 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20179276 0.87 CYP1A1 (0.34) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20174501 0.87 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20174465 0.86 KDM4E (0.34) MAPTMEN1KMT2AALDH1A1HPGD

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 MAPT 811/4885MEN1 611/4885KMT2A 1480/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MAPT 811/4885MEN1 611/4885KMT2A 1480/4885

“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.