SCHEMBL22456799

SCHEMBL22456799

CP(C)(=O)c1ccc2nc3c4ccccc4c4cc5ccccc5cc4n3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
KDM4E B2RXH2 9/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 10/20 0.35
HPGD P15428 6/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MAPK1 P28482 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
GAA P10253 3/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 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
SCHEMBL22456393 0.88 KDM4E (0.43) AHRKDM4EMAPTLMNAPOLB
SCHEMBL22456956 0.87 KDM4E (0.42) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL22456532 0.84 KDM4E (0.49) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL22456804 0.84 KDM4E (0.35) AHRKDM4EMAPTLMNAPOLB
SCHEMBL22456533 0.83 KDM4E (0.48) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL22456809 0.83 ALDH1A1 (0.42) AHRKDM4EMAPTLMNAPOLB
SCHEMBL22456808 0.82 AHR (0.33) AHRKDM4EMAPTLMNAPOLB
SCHEMBL22456745 0.82 KDM4E (0.36) AHRKDM4EMAPTLMNAPOLB
SCHEMBL12719696 0.80 KDM4E (0.53) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL22456738 0.80 KDM4E (0.34) AHRKDM4EMAPTLMNAPOLB

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-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-09-24 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 (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-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME NR2E3, NR2E1, NOX1 AHR 65/4885KDM4E 2372/4885MAPT 4532/4885

“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.