SCHEMBL16010218

SCHEMBL16010218

O=C(O)c1ccc(-n2[se]c3ccccc3c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.73
▸ HDAC6 Q9UBN7 3/20 0.73
▸ NPSR1 Q6W5P4 2/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ QSOX1 O00391 1/20 0.73
▸ RGS12 O14924 1/20 0.73
▸ PMM2 O15305 1/20 0.73
▸ PLIN1 O60240 1/20 0.73
▸ GMNN O75496 1/20 0.73
▸ BBOX1 O75936 1/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ CYBB P04839 1/20 0.73
▸ BCHE P06276 1/20 0.73
▸ GLA P06280 1/20 0.73
▸ POLB P06746 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73

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
Ebselen SCHEMBL29370082 0.85 METAP2 (1.00) METAP2HDAC6NPSR1KDM4EMEN1
Ebselen SCHEMBL4406056 0.85 METAP2 (1.00) METAP2HDAC6NPSR1KDM4EMEN1
Ebselen SCHEMBL33829 0.85 METAP2 (1.00) METAP2HDAC6NPSR1KDM4EMEN1
Ebselen SCHEMBL20678555 0.83 METAP2 (0.96) METAP2HDAC6NPSR1KDM4EMEN1
Ebselen SCHEMBL19064566 0.83 METAP2 (0.96) METAP2HDAC6NPSR1KDM4EMEN1
Ebselen SCHEMBL20477111 0.83 METAP2 (0.96) METAP2HDAC6NPSR1KDM4EMEN1
SCHEMBL1906347 0.82 HDAC6 (0.69) METAP2HDAC6NPSR1KDM4EMEN1
SCHEMBL5885139 0.82 METAP2 (0.74) METAP2HDAC6NPSR1KDM4EMEN1
SCHEMBL193047 0.82 METAP2 (0.79) METAP2HDAC6NPSR1KDM4EMEN1
SCHEMBL28783439 0.80 METAP2 (0.77) METAP2HDAC6NPSR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255731-A Synthesis method of biguanide derivative 湖北玖天生物医药科技有限公司 2024-06-28 — — CN claimed
CN-118255731-A Synthesis method of biguanide derivative 湖北玖天生物医药科技有限公司 2024-06-28 — — CN disclosed
US-20230330238-A1 CHIMERIC CONJUGATES FOR DEGRADATION OF VIRAL AND HOST PROTEINS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2023-10-19 — — US disclosed
US-11013730-B1 Composition comprising selenazol or thiazalone derivatives and silver and method of treatment therewith THIOREDOXIN SYSTEMS AB (SE) 2021-05-25 — — US disclosed
US-20210060051-A1 COMBINED MODALITIES FOR NUCLEOSIDES AND/OR NADPH OXIDASE (NOX) INHIBITORS AS MYELOID-SPECIFIC ANTIVIRAL AGENTS EMORY UNIVERSITY 2021-03-04 — — US disclosed
US-20190307726-A1 PHARMACEUTICAL FORMULATIONS MOLECULAR DEFENSES CORP (US) 2019-10-10 — — US disclosed
US-10058542-B1 Composition comprising selenazol or thiazolone derivatives and silver and method of treatment therewith THIOREDOXIN SYSTEMS AB (SE) 2018-08-28 — — US disclosed
WO-2017091737-A1 PHARMACEUTICAL FORMULATIONS Molecular Defenses Corporation (US) 2017-06-01 — — WO disclosed
US-9085598-B2 Compounds targeting the cell invasion protein complex, their pharmaceutical compositions and methods of use thereof THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-07-21 — — US disclosed
US-20140256659-A1 Compounds Targeting the Cell Invasion Protein Complex, Their Pharmaceutical Compositions and Methods of Use Thereof THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-09-11 — — 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 (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-20140256659-A1 Compounds Targeting the Cell Invasion Protein Complex, Their Pharmaceutical Compositions and Methods of Use Thereof PTK2, ILK, CTTN METAP2 2193/4885HDAC6 545/4885NPSR1 3606/4885
US-20190307726-A1 PHARMACEUTICAL FORMULATIONS GSS, GSR, MGST3 METAP2 1129/4885HDAC6 1379/4885NPSR1 631/4885
US-20210060051-A1 COMBINED MODALITIES FOR NUCLEOSIDES AND/OR NADPH OXIDASE (NOX) INHIBITORS AS MYELOID-SPECIFIC ANTIVIRAL AGENTS NOX1, NOX3, NOX4 METAP2 990/4885HDAC6 699/4885NPSR1 1815/4885
US-11013730-B1 Composition comprising selenazol or thiazalone derivatives and silver and method of treatment therewith SELENOI, TST, SCLY METAP2 1704/4885HDAC6 823/4885NPSR1 3296/4885
US-20230330238-A1 CHIMERIC CONJUGATES FOR DEGRADATION OF VIRAL AND HOST PROTEINS AND METHODS OF USE MDM2, TP53, USP19 METAP2 263/4885HDAC6 695/4885NPSR1 1712/4885
US-10058542-B1 Composition comprising selenazol or thiazolone derivatives and silver and method of treatment therewith SELENOI, TST, GSS METAP2 2771/4885HDAC6 1247/4885NPSR1 3547/4885

“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.

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