SCHEMBL21397027

SCHEMBL21397027

C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)c(C#N)c3)cn2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 6/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVR1B P36896 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FLT3 P36888 1/20 0.33
CNR2 P34972 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RET P07949 5/20 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
SCHEMBL21396791 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1TDP1KDM4EL3MBTL1
SCHEMBL21397030 0.82 GABRA1 (0.36) ALDH1A1KDM4EL3MBTL1RETCYP11B2
SCHEMBL21396740 0.81 ALDH1A1 (0.34) ALDH1A1NPSR1TDP1KDM4EL3MBTL1
SCHEMBL21397130 0.81 ALDH1A1 (0.35) ALDH1A1NPSR1TDP1KDM4EL3MBTL1
SCHEMBL21397037 0.81 FNTA (0.35) ALDH1A1NPSR1TDP1KDM4EL3MBTL1
SCHEMBL21396938 0.81 RET (0.35) RET
SCHEMBL21396694 0.80 ALDH1A1 (0.35) ALDH1A1NPSR1TDP1KDM4EL3MBTL1
SCHEMBL21397029 0.78 CYP11B1 (0.36) ALDH1A1KDM4EGLAGAACYP11B2
SCHEMBL21396945 0.77 BMPR1B (0.34) ALDH1A1NPSR1TDP1KDM4EL3MBTL1
SCHEMBL19345046 0.76 IMPDH2 (0.34) ALDH1A1KDM4EGLAGAA

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.