SCHEMBL21036819

SCHEMBL21036819

CN1C(=O)/C(=C/c2ccc(N(C)CCO)cc2)N=C1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYBB P04839 6/20 0.54
NOX4 Q9NPH5 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 1/20 0.52
KDR P35968 3/20 0.47
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK3 P27361 5/20 0.40
MAPK1 P28482 5/20 0.40
MAPK14 Q16539 5/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL12960511 0.85 KDR (0.61) CYBBNOX4L3MBTL1KMT2AKDR
SCHEMBL3706296 0.85 KDR (0.61) CYBBNOX4L3MBTL1KMT2AKDR
SCHEMBL3706297 0.85 KDR (0.61) CYBBNOX4L3MBTL1KMT2AKDR
SCHEMBL21037849 0.83 CYBB (0.53) CYBBNOX4L3MBTL1KMT2AKDR
SCHEMBL24981920 0.82 CYBB (0.51) CYBBNOX4KMT2AMAPTMAPK1
SCHEMBL21037413 0.81 L3MBTL1 (0.41) CYBBNOX4L3MBTL1KMT2AKDR
SCHEMBL21217202 0.80 KMT2A (0.64) L3MBTL1KMT2AKDRMAPTKDM4E
SCHEMBL21160616 0.80 CYBB (0.43) CYBBNOX4L3MBTL1KMT2AKDR
SCHEMBL21217195 0.80 KMT2A (0.61) L3MBTL1KMT2AKDRMAPTKDM4E
SCHEMBL24982350 0.76 CYBB (0.45) CYBBNOX4KMT2AMAPT

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 CYBB 3632/4885NOX4 4489/4885L3MBTL1 616/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF CYBB 3632/4885NOX4 4489/4885L3MBTL1 616/4885

“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.