SCHEMBL21396698

SCHEMBL21396698

N#Cc1cc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)nc2)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
PLAUR Q03405 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
IMPDH2 P12268 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL21396692 0.85 PTGER4 (0.37) PTGER4PLAURHTTATML3MBTL1
SCHEMBL21396730 0.81 ALDH1A1 (0.35) PTGER4PLAURHTTATML3MBTL1
SCHEMBL21688075 0.80 ALDH1A1 (0.38) HTTATML3MBTL1ALDH1A1TDP1
SCHEMBL21688264 0.80 ALOX5AP (0.34) HTTALDH1A1TDP1NPSR1IMPDH2
SCHEMBL21396689 0.80 KDM4E (0.34) PTGER4ATML3MBTL1ALDH1A1TDP1
SCHEMBL21396977 0.79 ALDH1A1 (0.40) PTGER4PLAURL3MBTL1ALDH1A1TDP1
SCHEMBL17463242 0.78 KDM4E (0.46) ATML3MBTL1KDM4E
SCHEMBL21688078 0.78 ALDH1A1 (0.37) HTTALDH1A1TDP1NPSR1IMPDH2
SCHEMBL21688207 0.78 CYP11B2 (0.34) HTTALDH1A1TDP1NPSR1IMPDH2
SCHEMBL21687449 0.77 ALDH1A1 (0.35) ATML3MBTL1ALDH1A1TDP1IMPDH2

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 PTGER4 2404/4885PLAUR 3215/4885HTT 1128/4885

“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.