SCHEMBL21160618

SCHEMBL21160618

CN(CCO)c1cc2sc3ccsc3c2s1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.33
MAPK1 P28482 1/20 0.31
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
SCHEMBL21160411 0.81 GPR35 (0.39) GPR35MAPK1KDM4EALDH1A1
SCHEMBL21036845 0.75 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL21160449 0.75 EGFR (0.34) MAPK1KDM4EALDH1A1
SCHEMBL21037879 0.72 TDP1 (0.33)
SCHEMBL10045600 0.67 PKM (0.39) GPR35
SCHEMBL13801951 0.67 GPR35 (0.43) GPR35ALDH1A1
SCHEMBL24605702 0.66 SIGMAR1 (0.30)
SCHEMBL559418 0.66 GPR35 (0.37) GPR35
SCHEMBL13206634 0.65 TDP1 (0.44) MAPK1KDM4EALDH1A1
SCHEMBL21160725 0.65 KDM4E (0.30) KDM4EALDH1A1

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 GPR35 4116/4885MAPK1 4517/4885KDM4E 4671/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF GPR35 4116/4885MAPK1 4517/4885KDM4E 4671/4885

“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.