SCHEMBL20806240

SCHEMBL20806240

O/N=C/c1cc(-c2cc(/C=N/O)c(O)c(/C=N/O)c2)cc(/C=N/O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ HPGD P15428 8/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ TTR P02766 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 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
SCHEMBL29365000 0.80 ERN1 (0.54) MAPTSMN1; SMN2ALOX12HTTHPGD
SCHEMBL12858742 0.80 ERN1 (0.54) MAPTSMN1; SMN2ALOX12HTTHPGD
SCHEMBL24288011 0.80 MAPT (0.33) MAPTSMN1; SMN2
SCHEMBL21953851 0.80 MAPT (0.33) MAPTSMN1; SMN2
SCHEMBL9174757 0.78 MAPT (0.36) MAPTSMN1; SMN2ALOX12HTTHPGD
SCHEMBL9174784 0.78 MAPT (0.36) MAPTSMN1; SMN2ALOX12HTTHPGD
SCHEMBL9174180 0.75 MAPT (0.55) MAPTSMN1; SMN2ALOX12HTTHPGD
SCHEMBL9174210 0.75 MAPT (0.55) MAPTSMN1; SMN2ALOX12HTTHPGD
SCHEMBL8064851 0.72 XDH (0.41) MAPTSMN1; SMN2ALOX12HPGDALDH1A1
SCHEMBL8064854 0.72 XDH (0.41) MAPTSMN1; SMN2ALOX12HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406601-B1 MULTI-DIRECTIONAL LIGAND FOR ORGANOMETALLIC COMPLEX LG CHEMICAL LTD (KR) 2022-04-20 — — EP disclosed
US-20200317607-A1 Composition for Detecting Acidic Compound LG CHEM, LTD. (KR) 2020-10-08 — — US disclosed
EP-3406615-B1 MULTI-DIRECTIONAL LIGAND-BASED ORGANOMETALLIC COMPLEX LG CHEMICAL LTD (KR) 2020-04-22 — — EP disclosed
US-10562845-B2 Multi-directional polydentate ligands for metal-organic hybrid structures LG CHEM, LTD. (KR) 2020-02-18 — — US disclosed
US-10556886-B2 Metal-organic hybrid structures built with multi-directional polydentate ligands LG CHEM, LTD. (KR) 2020-02-11 — — US disclosed
WO-2019146961-A9 COMPOSITION FOR DETECTING ACIDIC COMPOUND 주식회사 엘지화학 (KR) 2019-12-05 — — WO disclosed
US-20190100490-A1 MULTI-DIRECTIONAL POLYDENTATE LIGANDS FOR METAL-ORGANIC HYBRID STRUCTURES LG CHEM, LTD. (KR) 2019-04-04 — — US disclosed
US-20190077788-A1 METAL-ORGANIC HYBRID STRUCTURES BUILT WITH MULTI-DIRECTIONAL POLYDENTATE LIGANDS SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2019-03-14 — — 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 (5 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-20190100490-A1 MULTI-DIRECTIONAL POLYDENTATE LIGANDS FOR METAL-ORGANIC HYBRID STRUCTURES AOC1, ALDH1A1, ALDH1B1 MAPT 1503/4885SMN1; SMN2 4419/4885ALOX12 720/4885
US-10556886-B2 Metal-organic hybrid structures built with multi-directional polydentate ligands AOC1, ALDH1A1, ODC1 MAPT 1370/4885SMN1; SMN2 4212/4885ALOX12 579/4885
US-20200317607-A1 Composition for Detecting Acidic Compound CA11, ASIC1, CA9 MAPT 1788/4885SMN1; SMN2 1348/4885ALOX12 2396/4885
US-10562845-B2 Multi-directional polydentate ligands for metal-organic hybrid structures AOC1, ALDH1A1, ALDH1B1 MAPT 1503/4885SMN1; SMN2 4419/4885ALOX12 720/4885
US-20190077788-A1 METAL-ORGANIC HYBRID STRUCTURES BUILT WITH MULTI-DIRECTIONAL POLYDENTATE LIGANDS AOC1, ALDH1A1, ODC1 MAPT 1370/4885SMN1; SMN2 4212/4885ALOX12 579/4885

“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.

Send feedback