SCHEMBL21362291

SCHEMBL21362291

c1ccc(Nc2cc(Oc3ccccn3)cc3c2oc2ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 6/20 0.43
HPGD P15428 6/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 4/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 1/20 0.40
RAB9A P51151 8/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 3/20 0.37
PDE10A Q9Y233 1/20 0.37
EGFR P00533 1/20 0.36
USP2 O75604 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL21362292 0.79 NPC1 (0.50) NPC1MAPTKDM4ELMNAHSD17B10
SCHEMBL21362293 0.77 NPC1 (0.45) NPC1MAPTALDH1A1HPGDLMNA
SCHEMBL21352473 0.76 MAPT (0.75) NPC1MAPTALDH1A1HPGDKDM4E
SCHEMBL30843249 0.76 MAPT (0.75) NPC1MAPTALDH1A1HPGDKDM4E
SCHEMBL21362371 0.74 NPC1 (0.48) NPC1MAPTKDM4ELMNAHSD17B10
SCHEMBL23168551 0.72 KDM4E (0.48) NPC1MAPTALDH1A1HPGDKDM4E
SCHEMBL2521923 0.72 KDM4E (0.57) NPC1MAPTALDH1A1HPGDKDM4E
SCHEMBL23419058 0.72 MMP2 (0.46) NPC1MAPTALDH1A1HPGDKDM4E
SCHEMBL21362372 0.71 MAPT (0.68) NPC1MAPTALDH1A1HPGDKDM4E
SCHEMBL21388229 0.71 NPC1 (0.67) NPC1MAPTKDM4ELMNAHSD17B10

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 463/4885ALDH1A1 39/4885

“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.