SCHEMBL21037019

SCHEMBL21037019

CN(CCO)c1ccc(C#C/C=C(\C#N)c2nc3ccccc3o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
HSF1 Q00613 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 1/20 0.33
PSMB8 P28062 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL21036976 0.83 MAPT (0.64) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL21036839 0.79 MEN1 (0.44) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL24089763 0.78 MAPT (0.46) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL21037013 0.77 MAPT (0.48) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL24089756 0.77 MAPT (0.48) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL22314201 0.77 MAPT (0.49) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL23171300 0.75 MAPT (0.64) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL21037439 0.74 APP (0.48) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL21234692 0.74 MAPT (0.45) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL15660988 0.70 MAPT (0.61) MAPTKMT2AMEN1KDM4EMAPK1

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 MAPT 2624/4885KMT2A 4751/4885MEN1 2099/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MAPT 2624/4885KMT2A 4751/4885MEN1 2099/4885

“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.