SCHEMBL21160449

SCHEMBL21160449

CN(CCO)c1ccc2c(c1)sc1ccsc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
NTSR1 P30989 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
APP P05067 1/20 0.32
NEK1 Q96PY6 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAP4K4 O95819 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21160614 0.79 APP (0.40) EGFRNTSR1L3MBTL1MAPK1APP
SCHEMBL21037446 0.76 ALDH1A1 (0.34) EGFRL3MBTL1APPESR1ESR2
SCHEMBL21160618 0.75 GPR35 (0.33) MAPK1KDM4EALDH1A1
SCHEMBL21037456 0.71 APP (0.43) EGFRAPPMAPTALDH1A1
SCHEMBL1568157 0.68 GPR35 (0.39) MAPTALDH1A1
SCHEMBL21160411 0.68 GPR35 (0.39) L3MBTL1MAPK1TDP1KDM4EALDH1A1
SCHEMBL21160451 0.68 PDE10A (0.43) EGFRL3MBTL1MAPK1TDP1MAP4K4
SCHEMBL20718257 0.66 BCKDK (0.42) MAPTLMNAKDM4EALDH1A1
SCHEMBL14925152 0.65 GPR35 (0.37) MAPT
SCHEMBL21160615 0.65 CLK1 (0.43) L3MBTL1APPMAP4K4MAPTLMNA

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 2 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

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 EGFR 3881/4885NTSR1 3903/4885L3MBTL1 616/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF EGFR 3881/4885NTSR1 3903/4885L3MBTL1 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.