SCHEMBL21036993

SCHEMBL21036993

CN(CCO)c1cc2sc(C=O)cc2s1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21037848 0.88 CYP2A6 (0.43) CYP2A6KDM4EALDH1A1
SCHEMBL21036845 0.87 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL24991969 0.84 CYP2A6 (0.36) CYP2A6
SCHEMBL25000050 0.81 GPR84 (0.38) CYP2A6
SCHEMBL21234929 0.81 CYP2A6 (0.33) CYP2A6ALDH1A1
SCHEMBL20994206 0.78 CYP2A6 (0.42) CYP2A6
SCHEMBL21160462 0.76 MAPT (0.35) KDM4E
SCHEMBL24992359 0.76
SCHEMBL24519212 0.76 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL1957123 0.76 ALDH1A1 (0.38) 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 14 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
WO-2023011657-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
WO-2023011658-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
US-20230002769-A1 APTAMER NUCLEIC ACID MOLECULE, AND COMPLEX AND APPLICATION THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-01-05 US disclosed
US-20220214351-A1 FLUORESCENT DYE, PREPARATION METHOD AND USES THEREOF FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-07-07 US disclosed
US-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
EP-3964583-A1 APTAMER NUCLEIC ACID MOLECULE AND COMPLEX AND APPLICATION THEREOF East China University of Science and Technology (CN) 2022-03-09 EP disclosed
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
WO-2021057816-A1 NUCLEIC ACID APTAMER MOLECULE 华东理工大学 2021-04-01 WO 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
EP-3690002-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF East China University of Science and Technology (CN) 2020-08-05 EP 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
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 (6 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-20230002769-A1 APTAMER NUCLEIC ACID MOLECULE, AND COMPLEX AND APPLICATION THEREOF DNTT, TIA1, TIAL1 CYP2A6 4740/4885KDM4E 4647/4885ALDH1A1 3270/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN CYP2A6 4362/4885KDM4E 4770/4885ALDH1A1 3475/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885KDM4E 3930/4885ALDH1A1 422/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF CYP2A6 4407/4885KDM4E 4671/4885ALDH1A1 3152/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885KDM4E 3930/4885ALDH1A1 422/4885

“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.