SCHEMBL21362374

SCHEMBL21362374

CN1C=CN(c2cc(Oc3cccc(Oc4ccccn4)c3)cc3c2oc2ccccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
PTGS2 P35354 2/20 0.38
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
GCK P35557 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 1/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 1/20 0.31
LTA4H P09960 1/20 0.31
IP6K1 Q92551 1/20 0.31
IP6K3 Q96PC2 1/20 0.31
IP6K2 Q9UHH9 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
SCHEMBL21362323 0.85 MAPT (0.38) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362370 0.84 MAPT (0.36) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362373 0.78 NPC1 (0.41) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362289 0.78 PTGS2 (0.34) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362290 0.77 PTGS2 (0.35) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362371 0.77 NPC1 (0.48) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362372 0.75 MAPT (0.68) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL12349444 0.75 ALOX5 (0.38) NPC1MAPTLMNARAB9ADRD4
Iodide SCHEMBL27085288 0.74 ALOX5 (0.38) NPC1MAPTLMNARAB9ADRD4
SCHEMBL21362292 0.71 NPC1 (0.50) NPC1MAPTPTGS2LMNAUSP2

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-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TPO, RPLP0, RPS10 NPC1 4210/4885MAPT 463/4885PTGS2 4322/4885

“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.