SCHEMBL21037848

SCHEMBL21037848

CN(CCO)c1cc2cc3sc(C=O)cc3cc2s1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.43
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL21036993 0.88 CYP2A6 (0.35) CYP2A6KDM4EALDH1A1
SCHEMBL21234765 0.82 CYP2A6 (0.40) CYP2A6
SCHEMBL21234896 0.81 CYP2A6 (0.44) CYP2A6
SCHEMBL21036814 0.80 CYP2A6 (0.44) CYP2A6KDM4EALDH1A1
SCHEMBL21234769 0.80 CYP2A6 (0.38) CYP2A6
SCHEMBL21036845 0.78 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL21234717 0.78 APP (0.35)
SCHEMBL21234760 0.77 CLK1 (0.45) KDM4EALDH1A1
SCHEMBL21037879 0.75 TDP1 (0.33) CYP2A6
SCHEMBL21234716 0.74 CLK1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011656-A1 FLUORESCENT DYE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
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 CYP2A6 4407/4885KDM4E 4671/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF CYP2A6 4407/4885KDM4E 4671/4885ALDH1A1 3152/4885

“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.