SCHEMBL22921153

SCHEMBL22921153

Cc1cccnc1-c1cc(Br)cc(-c2ccc3oc4ccccc4c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
MAPT P10636 4/20 0.40
TRPV1 Q8NER1 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAOA P21397 1/20 0.36
RAB9A P51151 5/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE10A Q9Y233 1/20 0.35
HSD17B10 Q99714 3/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
HAVCR2 Q8TDQ0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL22921138 0.83 NPC1 (0.37) NPC1MAPTTRPV1CYP2A6MAOA
SCHEMBL19165370 0.82 MAPT (0.38) NPC1MAPTTRPV1CYP2A6MAOA
SCHEMBL804832 0.82 MAPT (0.50) NPC1MAPTMAOARAB9AHPGD
SCHEMBL22921140 0.79 NPC1 (0.34) NPC1MAPTTRPV1CYP2A6MAOA
SCHEMBL17789232 0.79 MAPT (0.50) NPC1MAPTMAOARAB9AHPGD
SCHEMBL30876951 0.79 MAPT (0.50) NPC1MAPTMAOARAB9AHPGD
SCHEMBL17789233 0.78 MAPT (0.44) NPC1MAPTMAOARAB9AHPGD
SCHEMBL18803772 0.78 PLA2G2A (0.50) NPC1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL22136664 0.76 PLA2G2A (0.42) NPC1MAPTMAOARAB9AHPGD
SCHEMBL22921169 0.76 CYP2A6 (0.55) MAPTTRPV1CYP2A6HPGDKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814374-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
US-11814374-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
US-20210024509-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-01-28 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-11814374-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 NPC1 526/4885MAPT 350/4885TRPV1 320/4885
US-20210024509-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 NPC1 526/4885MAPT 350/4885TRPV1 320/4885

“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.