SCHEMBL22157181

SCHEMBL22157181

N#Cc1cc(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)cc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.38
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 4/20 0.38
NPSR1 Q6W5P4 5/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CSNK2A1 P68400 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
FLT3 P36888 1/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL22157182 0.97 SLC6A9 (0.36) SLC6A9CYP11B2CYP11B1NPSR1ALDH1A1
SCHEMBL22156824 0.93 SLC6A9 (0.38) SLC6A9CYP11B2CYP11B1NPSR1ALDH1A1
SCHEMBL22157032 0.92 SLC6A9 (0.38) SLC6A9CYP11B2CYP11B1NPSR1ALDH1A1
SCHEMBL22156415 0.91 SLC6A9 (0.36) SLC6A9CYP11B2CYP11B1NPSR1ALDH1A1
SCHEMBL22157180 0.91 SLC6A9 (0.36) SLC6A9CYP11B2CYP11B1NPSR1ALDH1A1
SCHEMBL22157061 0.91 SLC6A9 (0.39) SLC6A9CYP11B2CYP11B1NPSR1ALDH1A1
SCHEMBL22156571 0.89 SLC6A9 (0.38) SLC6A9CYP11B2CYP11B1NPSR1ALDH1A1
SCHEMBL22157121 0.88 CYP11B1 (0.38) CYP11B2CYP11B1NPSR1ALDH1A1TDP1
SCHEMBL22157037 0.88 SLC6A9 (0.38) SLC6A9CYP11B2CYP11B1NPSR1ALDH1A1
SCHEMBL22155925 0.88 CYP11B1 (0.35) CYP11B2CYP11B1NPSR1ALDH1A1KDM4E

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 SLC6A9 2746/4885CYP11B2 531/4885CYP11B1 827/4885

“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.