SCHEMBL21397008

SCHEMBL21397008

N#Cc1cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cn3)n2)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
USP14 P54578 1/20 0.33
SLC6A9 P48067 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR3C1 P04150 1/20 0.31
TGFBR1 P36897 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL21396982 0.91 ALDH1A1 (0.39) CYP11B1CYP11B2USP14SLC6A9ALDH1A1
SCHEMBL21397069 0.89 ALDH1A1 (0.39) CYP11B1CYP11B2USP14SLC6A9ALDH1A1
SCHEMBL21397004 0.83 ALOX5AP (0.35) CYP11B1CYP11B2SLC6A9ALDH1A1NPSR1
SCHEMBL21397006 0.83 CYP11B1 (0.39) CYP11B1CYP11B2SLC6A9ALDH1A1NPSR1
SCHEMBL21396747 0.82 KDM4E (0.38) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21397009 0.82 GABRA1 (0.34) USP14ALDH1A1NPSR1NR3C1TGFBR1
SCHEMBL21397072 0.82 NPSR1 (0.36) CYP11B1CYP11B2SLC6A9ALDH1A1NPSR1
SCHEMBL21396673 0.78 SLC6A9 (0.36) USP14SLC6A9ALDH1A1NPSR1KDM4E
SCHEMBL21397126 0.77 GRM5 (0.35) ALDH1A1NPSR1TDP1TGFBR1KDM4E
SCHEMBL19062209 0.75 IMPDH2 (0.43) ALDH1A1NPSR1TDP1MCL1KDM4E

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CYP11B1 1877/4885CYP11B2 1859/4885USP14 3820/4885

“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.