SCHEMBL21160410

SCHEMBL21160410

CN(CCO)c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
APP P05067 2/20 0.53
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36

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
SCHEMBL15859157 0.86 MAPT (0.72) MAPTAPPALDH1A1KMT2AHPGD
SCHEMBL14730380 0.86 MAPT (0.72) MAPTAPPALDH1A1KMT2AHPGD
SCHEMBL15859154 0.86 MAPT (0.72) MAPTAPPALDH1A1KMT2AHPGD
SCHEMBL21037329 0.86 MAPT (0.48) MAPTAPPALDH1A1KMT2AHPGD
SCHEMBL21160414 0.84 MAPT (0.52) MAPTAPPALDH1A1KMT2AHPGD
SCHEMBL437080 0.83 MAPT (0.71) MAPTAPPALDH1A1KMT2ATDP1
SCHEMBL21036835 0.82 LMNA (0.50) MAPTAPPALDH1A1KMT2AHPGD
SCHEMBL11936998 0.82 MAPT (0.77) MAPTAPPALDH1A1KMT2AHPGD
SCHEMBL3437234 0.82 MAPT (0.77) MAPTAPPALDH1A1KMT2AHPGD
SCHEMBL15859159 0.81 MAPT (0.66) MAPTAPPALDH1A1KMT2AMEN1

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 2 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-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 (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 MAPT 2624/4885APP 2001/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MAPT 2624/4885APP 2001/4885ALDH1A1 3152/4885

“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.