SCHEMBL21736007

SCHEMBL21736007

c1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5sc6ccccc6c5n4)cccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL21736370 0.91 PIM1 (0.35) KDM4EATML3MBTL1
SCHEMBL21736269 0.88 HRH4 (0.35) HRH4HTR2CPIK3CA
SCHEMBL21736271 0.86 HRH4 (0.36) HRH4HTR2CMAPTPIK3CA
SCHEMBL21736295 0.86 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL20670196 0.85 KDM4E (0.36) KDM4EATML3MBTL1HRH4HTR2C
SCHEMBL21736484 0.85 HRH4 (0.33) HRH4HTR2CPIK3CA
SCHEMBL21736227 0.84 KDM4E (0.32) KDM4EATML3MBTL1HTR2C
SCHEMBL21736004 0.83 KDM4E (0.34) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL20669834 0.83 PIK3CA (0.36) KDM4EHRH4HTR2CALDH1A1LMNA
SCHEMBL19247897 0.82 ATM (0.40) KDM4EATML3MBTL1HRH4HTR2C

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 KDM4E 1417/4885ATM 3667/4885L3MBTL1 433/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 KDM4E 1417/4885ATM 3667/4885L3MBTL1 433/4885

“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.