SCHEMBL21037282

SCHEMBL21037282

CN(CCOC(=O)NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1)c1ccc(/C=C(\C#N)C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.37
PIN1 Q13526 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
MGMT P16455 1/20 0.33
PSMD14 O00487 1/20 0.33

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
SCHEMBL21036809 0.91 PIN1 (0.36) MEN1KMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL21037844 0.90 PIN1 (0.35) PIN1MGMT
SCHEMBL21036983 0.89 MAPT (0.38) MEN1KMT2APIN1MAPTMGMT
SCHEMBL21037345 0.88 PIN1 (0.33) PIN1MGMT
SCHEMBL21036833 0.87 PIN1 (0.33) PIN1MGMT
SCHEMBL21036982 0.87 APP (0.34) PIN1MGMT
SCHEMBL21160480 0.86 MEN1 (0.47) MEN1KMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL21036808 0.85 MAPT (0.39) MEN1KMT2ATDP1ALDH1A1USP2
SCHEMBL21036971 0.85 PIN1 (0.34) MEN1KMT2APIN1MAPTMGMT
SCHEMBL24089672 0.84 PIN1 (0.30) PIN1MGMT

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 MEN1 2099/4885KMT2A 4751/4885TDP1 2012/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MEN1 2099/4885KMT2A 4751/4885TDP1 2012/4885

“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.