SCHEMBL23870646

SCHEMBL23870646

Brc1sc2ccccc2c1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
MAPT P10636 4/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL29434786 0.81 GPR3 (0.55) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL309376 0.81 GPR3 (0.55) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL10053261 0.76 GPR3 (0.55) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL1518886 0.76 GPR3 (0.55) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL28479943 0.73 MAPT (0.52) GPR3MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL31337819 0.73 GPR3 (0.50) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL28378900 0.73 LOXL2 (0.53) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL24442088 0.73 GPR3 (0.50) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL9310785 0.73 GPR3 (0.50) GPR3MAPTRAB9AALDH1A1HPGD
SCHEMBL3603009 0.73 GPR3 (0.50) GPR3MAPTRAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230380285-A1 COMPOUNDS COMPRISING HETEROATOMS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-11-23 US disclosed
US-20230380285-A1 COMPOUNDS COMPRISING HETEROATOMS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-11-23 US disclosed
US-20230157171-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
US-20230157171-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
WO-2022101171-A1 SULFUROUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-19 WO disclosed
WO-2022079067-A1 COMPOUNDS COMPRISING HETEROATOMS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-21 WO disclosed
WO-2021191183-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-30 WO 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-20230157171-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, CYCS, VDAC2 GPR3 3830/4885MAPT 1690/4885RAB9A 3254/4885
US-20230380285-A1 COMPOUNDS COMPRISING HETEROATOMS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC3, VDAC2, OR10J3 GPR3 3579/4885MAPT 1883/4885RAB9A 2106/4885

“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.