SCHEMBL21362290

SCHEMBL21362290

CN1C=CN(c2cc(N(c3ccccc3)c3cc(Oc4ccccn4)cc4c3oc3ccccc34)c3oc4ccccc4c3c2)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21362289 0.92 PTGS2 (0.34) PTGS2NPC1MAPTUSP2LMNA
SCHEMBL21362293 0.85 NPC1 (0.45) PTGS2NPC1MAPTUSP2LMNA
SCHEMBL21362375 0.80 TSHR (0.40) PTGS2NPC1MAPTUSP2LMNA
SCHEMBL21362370 0.80 MAPT (0.36) PTGS2NPC1MAPTUSP2LMNA
SCHEMBL21362323 0.79 MAPT (0.38) PTGS2NPC1MAPTUSP2LMNA
SCHEMBL21362374 0.77 NPC1 (0.39) PTGS2NPC1MAPTUSP2LMNA
SCHEMBL21362369 0.74 TSHR (0.39) PTGS2NPC1MAPTUSP2
SCHEMBL21362348 0.74 NPC1 (0.31) NPC1MAPT
SCHEMBL21362292 0.67 NPC1 (0.50) PTGS2NPC1MAPTUSP2LMNA
SCHEMBL19389196 0.66 CHRNA7 (0.43) NPC1MAPTLMNA

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 PTGS2 4322/4885NPC1 4210/4885MAPT 463/4885

“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.