SCHEMBL21736013

SCHEMBL21736013

c1ccc(-n2c3ccccc3c3c(-c4nc5c(nc4-n4c6ccccc6c6cc7ccccc7cc64)oc4ccccc45)cccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 3/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21736044 0.98 SMN1; SMN2 (0.35) SMN1; SMN2LMNAKDM4EL3MBTL1ATM
SCHEMBL21736046 0.91 NPSR1 (0.32) KDM4EL3MBTL1ATMNPSR1
SCHEMBL21736226 0.90 SIRT2 (0.32) SMN1; SMN2LMNACA12CA9ALDH1A1
SCHEMBL23984022 0.90 SMN1; SMN2 (0.33) SMN1; SMN2LMNACA12CA9ALDH1A1
SCHEMBL21736028 0.89 PIM1 (0.34) SMN1; SMN2LMNAKDM4EL3MBTL1ATM
SCHEMBL21736129 0.89 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL21736565 0.89 ALDH1A1 (0.33) KDM4EALDH1A1CYP1A2CYP2C9NPSR1
SCHEMBL21736117 0.88 SMN1; SMN2 (0.32) SMN1; SMN2LMNAKDM4EL3MBTL1ATM
SCHEMBL23026932 0.88 CA12 (0.33) SMN1; SMN2LMNAKDM4EL3MBTL1ATM
SCHEMBL21735888 0.87 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP2C9HPGD

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 SMN1; SMN2 1814/4885LMNA 3949/4885KDM4E 1417/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 SMN1; SMN2 1814/4885LMNA 3949/4885KDM4E 1417/4885

“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.