SCHEMBL21160616

SCHEMBL21160616

CN1C(=O)/C(=C\c2nc3ccc(N(C)CCO)cc3o2)N=C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYBB P04839 8/20 0.43
NOX4 Q9NPH5 8/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NTSR1 P30989 8/20 0.35
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
KDR P35968 1/20 0.33
MAP4K4 O95819 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
SCHEMBL21037863 0.86 KMT2A (0.38) CYBBNOX4KMT2AL3MBTL1ALOX5
SCHEMBL21036819 0.80 CYBB (0.54) CYBBNOX4KMT2AL3MBTL1KDR
SCHEMBL21037413 0.78 L3MBTL1 (0.41) CYBBNOX4KMT2AL3MBTL1NTSR1
SCHEMBL22314199 0.78 MTNR1A (0.33) KMT2AL3MBTL1
SCHEMBL21037862 0.76
SCHEMBL24999653 0.75 CYBB (0.42) CYBBNOX4KMT2AL3MBTL1
SCHEMBL21036961 0.74 MAPT (0.36) CYBBNOX4KMT2AL3MBTL1MAP4K4
SCHEMBL24982173 0.68 CYBB (0.43) CYBBNOX4KMT2AL3MBTL1
SCHEMBL21160609 0.68 SLC16A3 (0.41)
SCHEMBL21037013 0.67 MAPT (0.48) CYBBNOX4KMT2A

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 CYBB 3632/4885NOX4 4489/4885KMT2A 4751/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN CYBB 3571/4885NOX4 4451/4885KMT2A 4790/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF CYBB 3632/4885NOX4 4489/4885KMT2A 4751/4885

“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.