SCHEMBL20004504

SCHEMBL20004504

CN(CCO)c1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 6/20 0.41
NOX1 Q9Y5S8 1/20 0.39
POLB P06746 1/20 0.36
CYBB P04839 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KLF5 Q13887 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL22537676 0.94 L3MBTL1 (0.43) L3MBTL1APPNOX1POLBCYBB
SCHEMBL14921136 0.82 ALDH1A1 (0.52) L3MBTL1APPNOX1POLBMAPT
SCHEMBL6643854 0.80 L3MBTL1 (0.47) L3MBTL1APPNOX1POLBCYBB
SCHEMBL2549477 0.80 APP (0.42) APPMAPTMEN1KMT2A
SCHEMBL194538 0.80 ALDH1A1 (0.48) L3MBTL1APPNOX1POLBCYBB
SCHEMBL8650234 0.78 L3MBTL1 (0.46) L3MBTL1NOX1POLBMAPTKMT2A
SCHEMBL1537864 0.78 ALDH1A1 (0.50) L3MBTL1APPNOX1POLBCYBB
SCHEMBL5853973 0.78 L3MBTL1 (0.46) L3MBTL1APPNOX1POLBCYBB
Hydrochloric Acid SCHEMBL9661413 0.78 L3MBTL1 (0.46) L3MBTL1APPNOX1POLBCYBB
SCHEMBL29426388 0.78 APP (0.41) APPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF L3MBTL1 616/4885APP 2001/4885NOX1 4532/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF L3MBTL1 616/4885APP 2001/4885NOX1 4532/4885

“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.