SCHEMBL21397069

SCHEMBL21397069

N#Cc1cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cn3)c2)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A9 P48067 1/20 0.37
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 2/20 0.33
FLT3 P36888 1/20 0.32
KDM1A O60341 1/20 0.32
USP14 P54578 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL21396982 0.95 ALDH1A1 (0.39) ALDH1A1NPSR1TDP1SLC6A9LMNA
SCHEMBL21397006 0.91 CYP11B1 (0.39) ALDH1A1NPSR1TDP1SLC6A9CYP11B1
SCHEMBL21397008 0.89 CYP11B1 (0.33) ALDH1A1NPSR1TDP1SLC6A9LMNA
SCHEMBL21397004 0.85 ALOX5AP (0.35) ALDH1A1NPSR1TDP1SLC6A9SMN1; SMN2
SCHEMBL21397007 0.84 ALDH1A1 (0.39) ALDH1A1NPSR1TDP1SLC6A9LMNA
SCHEMBL16089817 0.82 HSD17B1 (0.40) HSD17B1HSD17B2KDM4EATML3MBTL1
SCHEMBL21397071 0.80 ALDH1A1 (0.41) ALDH1A1NPSR1TDP1SLC6A9CYP11B1
SCHEMBL19062209 0.80 IMPDH2 (0.43) ALDH1A1NPSR1TDP1LMNASMN1; SMN2
SCHEMBL21396673 0.80 SLC6A9 (0.36) ALDH1A1NPSR1SLC6A9HPGDSMN1; SMN2
SCHEMBL21396747 0.79 KDM4E (0.38) ALDH1A1NPSR1TDP1LMNAHPGD

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 ALDH1A1 825/4885NPSR1 2986/4885TDP1 1706/4885

“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.