SCHEMBL21036841

SCHEMBL21036841

CN(CCO)c1ccc(-c2ccc(/C=C(\C#N)C(=O)OC(C)(C)C)s2)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 8/20 0.38
RPS6KA3 P51812 1/20 0.37
APP P05067 2/20 0.37
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSMD14 O00487 1/20 0.31
MAPK1 P28482 1/20 0.31
JAK3 P52333 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21037329 0.86 MAPT (0.48) KMT2AMEN1ALDH1A1MAPTRPS6KA3
SCHEMBL21160414 0.85 MAPT (0.52) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL21036998 0.80 RPS6KA3 (0.36) KMT2AMEN1ALDH1A1MAPTRPS6KA3
SCHEMBL21037880 0.79 MEN1 (0.34) KMT2AMEN1ALDH1A1RPS6KA3
SCHEMBL21160438 0.79 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL21160619 0.78 RPS6KA3 (0.34) KMT2AMEN1ALDH1A1RPS6KA3
SCHEMBL21160465 0.76 MEN1 (0.32) KMT2AMEN1ALDH1A1RPS6KA3
SCHEMBL21234930 0.76 MEN1 (0.32) KMT2AMEN1ALDH1A1RPS6KA3
SCHEMBL21037254 0.75 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL21036842 0.72 DPP4 (0.41) KMT2AMEN1ALDH1A1MAPTAPP

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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 US disclosed
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP 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 KMT2A 4751/4885MEN1 2099/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF KMT2A 4751/4885MEN1 2099/4885ALDH1A1 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.