SCHEMBL21362293

SCHEMBL21362293

c1ccc(N(c2cc(Oc3ccccn3)cc3c2oc2ccccc23)c2cc(Oc3ccccn3)cc3c2oc2ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
MAPT P10636 3/20 0.45
PTGS2 P35354 1/20 0.42
LMNA P02545 6/20 0.36
USP2 O75604 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 3/20 0.34
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
IP6K1 Q92551 2/20 0.33
IP6K3 Q96PC2 2/20 0.33
IP6K2 Q9UHH9 2/20 0.33
AHR P35869 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
LIMK1 P53667 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
SCHEMBL21362375 0.87 TSHR (0.40) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362290 0.85 PTGS2 (0.35) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362369 0.83 TSHR (0.39) NPC1MAPTPTGS2USP2POLB
SCHEMBL21362289 0.81 PTGS2 (0.34) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362292 0.79 NPC1 (0.50) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362291 0.77 NPC1 (0.45) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21352473 0.76 MAPT (0.75) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL30843249 0.76 MAPT (0.75) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL21362371 0.74 NPC1 (0.48) NPC1MAPTPTGS2LMNAUSP2
SCHEMBL15178580 0.72 ALOX5 (0.41) NPC1MAPTLMNARAB9AL3MBTL1

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.