SCHEMBL20187601

SCHEMBL20187601

O=[N+]([O-])c1ccccc1-c1ccccc1B(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
HSD17B10 Q99714 2/20 0.47
GPR35 Q9HC97 1/20 0.44
PTPN1 P18031 1/20 0.44
S100A4 P26447 2/20 0.43
PTPRC P08575 1/20 0.43
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL29623123 1.00 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10GPR35PTPN1
SCHEMBL29614987 0.84 HSD17B10 (0.54) ALDH1A1TDP1HSD17B10GPR35MEN1
SCHEMBL28117 0.84 HSD17B10 (0.54) ALDH1A1TDP1HSD17B10GPR35MEN1
SCHEMBL1287837 0.82 ALDH1A1 (0.74) ALDH1A1TDP1HSD17B10GPR35PTPN1
SCHEMBL30535903 0.82 ALDH1A1 (0.74) ALDH1A1TDP1HSD17B10GPR35PTPN1
SCHEMBL29337140 0.80 ALDH1A1 (0.71) ALDH1A1TDP1HSD17B10GPR35PTPN1
SCHEMBL30987815 0.80 ALDH1A1 (0.71) ALDH1A1TDP1HSD17B10GPR35PTPN1
Ammonia Solution, Strong SCHEMBL9060371 0.80 ALDH1A1 (0.71) ALDH1A1TDP1HSD17B10GPR35PTPN1
SCHEMBL910658 0.77 ENPP2 (0.50) MAPTAPAF1
SCHEMBL5038826 0.76 CES2 (0.48) ALDH1A1TDP1HSD17B10GAAL3MBTL1

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-20250098532-A1 NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-03-20 US disclosed
EP-4281455-A1 NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2023-11-29 EP disclosed
CN-116710454-A Nitrogen-containing compounds for organic electroluminescent devices 默克专利有限公司 2023-09-05 CN disclosed
WO-2022157343-A1 NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-28 WO disclosed
EP-3544986-B1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
EP-3544986-A1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2019-10-02 EP disclosed
WO-2018095839-A1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-31 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 (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-20250098532-A1 NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES NCL, NES, NPM1 ALDH1A1 2452/4885TDP1 2490/4885HSD17B10 4220/4885

“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.