SCHEMBL21397006

SCHEMBL21397006

N#Cc1cc(-c2cncc(-c3ccc(-n4c5ccccc5c5ccccc54)cn3)c2)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.39
CYP11B2 P19099 16/20 0.39
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A9 P48067 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL21397069 0.91 ALDH1A1 (0.39) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21396982 0.91 ALDH1A1 (0.39) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21396933 0.85 CYP11B2 (0.42) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21396761 0.83 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21397008 0.83 CYP11B1 (0.33) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21397073 0.81 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21397004 0.81 ALOX5AP (0.35) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL19062209 0.78 IMPDH2 (0.43) ALDH1A1NPSR1TDP1
SCHEMBL21397039 0.78 CYP11B2 (0.45) CYP11B1CYP11B2
SCHEMBL27416912 0.76 ALDH1A1 (0.36) CYP11B2ALDH1A1NPSR1TDP1

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 1859/4885ALDH1A1 825/4885

“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.