SCHEMBL21687901

SCHEMBL21687901

N#Cc1ccc(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.32
AR P10275 1/20 0.32
IMPDH2 P12268 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21687930 0.92 PTGER4 (0.30) ALDH1A1KDM4E
SCHEMBL21687648 0.91 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL21687618 0.86 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL19755214 0.84 AR (0.41) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL21688059 0.84 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL21687915 0.83 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL21687889 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL21687944 0.83 PTGER4 (0.30)
SCHEMBL21687645 0.82 AR (0.34) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL21688062 0.82 AR (0.34) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-12-14 US disclosed
US-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-06 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 (2 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-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNL2, CCNE2 ALDH1A1 616/4885SMN1; SMN2 4039/4885MEN1 669/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 ALDH1A1 616/4885SMN1; SMN2 4039/4885MEN1 669/4885

“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.