SCHEMBL21160609

SCHEMBL21160609

CN(CCO)c1ccc2nc(/C=C(\C#N)C(=O)O)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.41
SLC16A1 P53985 5/20 0.41
APP P05067 1/20 0.38

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
SCHEMBL22313629 0.87 SLC16A3 (0.43) SLC16A3SLC16A1APP
SCHEMBL21037855 0.86 APP (0.35) SLC16A3SLC16A1APP
SCHEMBL21036962 0.85 SLC16A3 (0.38) SLC16A3SLC16A1
SCHEMBL21036961 0.80 MAPT (0.36) APP
SCHEMBL21037013 0.79 MAPT (0.48) APP
SCHEMBL21160612 0.77 APP (0.55) SLC16A3SLC16A1APP
SCHEMBL21037454 0.75 MEN1 (0.46)
SCHEMBL21160479 0.75 CISD1 (0.55) SLC16A3SLC16A1
SCHEMBL22313935 0.72 APP (0.41) SLC16A3SLC16A1APP
SCHEMBL21160459 0.70 MMP14 (0.39) SLC16A3SLC16A1

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-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SLC16A3 3971/4885SLC16A1 4170/4885APP 2001/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN SLC16A3 1198/4885SLC16A1 644/4885APP 2264/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF SLC16A3 3971/4885SLC16A1 4170/4885APP 2001/4885

“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.