SCHEMBL21397099

SCHEMBL21397099

N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ACHE P22303 1/20 0.36
PDE10A Q9Y233 5/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHODH Q02127 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.33
NPY5R Q15761 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TSPO P30536 1/20 0.32
HDAC4 P56524 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
SCHEMBL21396825 0.94 CYP11B2 (0.38) CYP11B2MAOAMAOBACHEPDE10A
SCHEMBL21396874 0.94 CYP11B2 (0.39) CYP11B2MAOAPDE10AKDM4EATM
SCHEMBL21396875 0.91 CYP11B2 (0.36) CYP11B2MAOAPDE10AKDM4EDHODH
SCHEMBL21396826 0.90 CYP11B2 (0.38) CYP11B2MAOAMAOBACHEPDE10A
SCHEMBL19909124 0.89 KDM4E (0.42) CYP11B2PDE10AKDM4EATML3MBTL1
SCHEMBL19908876 0.89 SQOR (0.40) CYP11B2PDE10AKDM4EATML3MBTL1
SCHEMBL20620125 0.88 CYP11B2 (0.49) CYP11B2MAOAPDE10AKDM4EDHODH
SCHEMBL21396880 0.88 CYP11B2 (0.38) CYP11B2MAOAPDE10AKDM4EATM
SCHEMBL21397076 0.88 CYP11B2 (0.38) CYP11B2MAOAPDE10AKDM4EATM
SCHEMBL21481265 0.88 KDM4E (0.46) MAOAMAOBACHEKDM4EATM

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 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 (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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP11B2 1221/4885MAOA 123/4885MAOB 95/4885

“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.