SCHEMBL21397849

SCHEMBL21397849

O=c1c2ccccc2c2cc(-c3ccc4sc5ccccc5c4c3)cc3c4cc(-c5ccc6sc7cc(-c8ccc9c(c8)c(=O)n8c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10c%10cc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc9c%108)ccc7c6c5)ccc4n1c23

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 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
SCHEMBL21264606 0.88 KDM4E (0.31) KDM4ENPC1LMNATP53HPGD
SCHEMBL22198432 0.87 PTPN7 (0.36) KDM4ENPC1LMNATP53HPGD
SCHEMBL22175281 0.86 MAOB (0.34) KDM4EHPGD
SCHEMBL14732270 0.85 GPR3 (0.37) KDM4ENPC1LMNATP53HPGD
SCHEMBL21264461 0.84 MAOB (0.35) KDM4EHPGDHSD17B10
SCHEMBL14732274 0.84 KMT2A (0.36) KDM4ENPC1LMNATP53HPGD
SCHEMBL23482865 0.84 MAOB (0.36) KDM4ENPC1LMNATP53HPGD
SCHEMBL21125765 0.84 MAOB (0.34) KDM4ELMNAHPGDCYP1A2
SCHEMBL23239682 0.83
SCHEMBL22175302 0.83 MEN1 (0.36) KDM4ELMNAHPGD

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 KDM4E 4613/4885NPC1 3230/4885LMNA 3190/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 KDM4E 4613/4885NPC1 3230/4885LMNA 3190/4885

“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.