SCHEMBL21687733

SCHEMBL21687733

N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2C#N)ccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.40
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 5/20 0.32
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TGFBR1 P36897 1/20 0.31
PIM1 P11309 2/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MCL1 Q07820 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21687662 0.93 SMN1; SMN2 (0.35) SMN1; SMN2HIF1APDCD1CD274
SCHEMBL21687970 0.92 ALDH1A1 (0.33) SMN1; SMN2HIF1ATRPA1ALDH1A1TSHR
SCHEMBL21688048 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HIF1APDE9APDE1CTRPA1
SCHEMBL21687557 0.89 SMN1; SMN2 (0.35) SMN1; SMN2HIF1APDE9APDE1CTRPA1
SCHEMBL21688042 0.86 ALDH1A1 (0.34) SMN1; SMN2HIF1AALDH1A1TSHRTDP1
SCHEMBL21687775 0.86 SMN1; SMN2 (0.34) SMN1; SMN2HIF1APDE9APDE1CTRPA1
SCHEMBL21687734 0.85 TRPA1 (0.34) SMN1; SMN2HIF1ATRPA1ALDH1A1TSHR
SCHEMBL21687726 0.85 SMN1; SMN2 (0.36) SMN1; SMN2HIF1AALDH1A1TDP1NPSR1
SCHEMBL21687983 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HIF1APDE9APDE1CALDH1A1
SCHEMBL21687611 0.85 SMN1; SMN2 (0.40) SMN1; SMN2HIF1APDE9APDE1CALDH1A1

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 SMN1; SMN2 4039/4885HIF1A 622/4885PDE9A 3517/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 SMN1; SMN2 4039/4885HIF1A 622/4885PDE9A 3517/4885

“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.