SCHEMBL22893906

SCHEMBL22893906

c1ccc(-c2nc(-c3cccc4c3oc3ccc5ccccc5c34)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL22893719 0.94 MAPT (0.36) KDM4EATML3MBTL1MAPTALDH1A1
SCHEMBL22893903 0.93 MAPT (0.38) KDM4EATML3MBTL1MAPTALDH1A1
SCHEMBL22893712 0.92 SIRT2 (0.34) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL24801445 0.91 KDM4E (0.35) KDM4EATML3MBTL1MAPTALDH1A1
SCHEMBL22893910 0.91 SIRT2 (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22893710 0.91 MAPT (0.36) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL24152228 0.91 MAPT (0.38) KDM4EATML3MBTL1MAPTALDH1A1
SCHEMBL22893905 0.90 SIRT2 (0.35) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22893909 0.90 CYP1A1 (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL22893908 0.89 ABCG2 (0.34) SIRT2SIRT1KDM4EATML3MBTL1

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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 SIRT2 1235/4885SIRT1 923/4885KDM4E 2673/4885

“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.