SCHEMBL21160734

SCHEMBL21160734

CC(C)(C)/C=C(\C#N)c1nc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
KDM4E B2RXH2 7/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPK1 P28482 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 4/20 0.58
HTT P42858 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 4/20 0.53
USP2 O75604 1/20 0.52
PSMB8 P28062 1/20 0.45
FAAH O00519 3/20 0.42
XDH P47989 2/20 0.40
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL22313625 0.80 MAPT (0.40) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL15660988 0.79 MAPT (0.61) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL15660991 0.79 MAPT (0.61) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL15660986 0.79 MAPT (0.61) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL21160712 0.79 TTR (0.43) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL21037023 0.78 MAPT (0.61) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL11930608 0.73 RAB9A (0.52) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL14518023 0.72 MAPT (0.58) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL29805838 0.71 XDH (0.49) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL4464221 0.71 XDH (0.49) MAPTKDM4EMEN1KMT2AMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 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 (5 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 2624/4885KDM4E 4671/4885MEN1 2099/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN MAPT 3407/4885KDM4E 4770/4885MEN1 1100/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B MAPT 2048/4885KDM4E 3930/4885MEN1 3709/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MAPT 2624/4885KDM4E 4671/4885MEN1 2099/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B MAPT 2048/4885KDM4E 3930/4885MEN1 3709/4885

“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.