SCHEMBL2485012

SCHEMBL2485012

O=[N+]([O-])c1ccc(Br)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE7A Q13946 3/20 0.49
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
S100A4 P26447 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
EGFR P00533 1/20 0.44
VCAM1 P19320 4/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL31312499 1.00 TSHR (0.64) TSHRMAPK1CA1CA2MMP1
SCHEMBL2873685 0.83 VCAM1 (0.56) TSHRMAPK1TDP1S100A4TRPV1
SCHEMBL30955236 0.83 VCAM1 (0.56) TSHRMAPK1TDP1S100A4TRPV1
SCHEMBL4609255 0.81 PDE7A (0.72) TSHRMAPK1CA1CA2MMP1
SCHEMBL4608336 0.81 MMP1 (0.56) TSHRMAPK1CA1CA2MMP1
SCHEMBL1561802 0.80 TSHR (0.56) TSHRMAPK1TDP1S100A4TRPV1
SCHEMBL31281371 0.79 TSHR (0.67) TSHRMAPK1CA1CA2MMP1
SCHEMBL359179 0.79 TSHR (0.67) TSHRMAPK1CA1CA2MMP1
SCHEMBL29398960 0.78 TSHR (1.00) TSHRMAPK1CA1CA2MMP1
SCHEMBL165733 0.78 CYP19A1 (0.49) TSHRMAPK1TDP1PDE7AS100A4

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107383076-A A kind of synthetic method of the chlorophenylboronic acid pinacol ester of 3 amino 4 吉尔生化(上海)有限公司 2017-11-24 CN claimed
US-20240366770-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE SWITZERLAND GMBH (CH) 2024-11-07 US disclosed
EP-4457230-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene Switzerland GmbH (CH) 2024-11-06 EP disclosed
CN-118414336-A Degradation of Bruton Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2024-07-30 CN disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
WO-2023027203-A1 LUMINESCENT MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE USING SAME, AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE 최돈수 2023-03-02 WO disclosed
US-10703762-B2 Compound, material for organic electroluminescence device, organic electroluminescence device and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2020-07-07 US disclosed
CN-110305018-A A kind of preparation method of the bromo- 2- fluoronitrobenzene of 3- 浙江普洛家园药业有限公司 2019-10-08 CN disclosed
CN-109369641-A A kind of organic electroluminescence device compound 韩国高智株式会社 2019-02-22 CN disclosed
CN-109071411-A The method for manufacturing nitrobenzene compound 组合化学工业株式会社 2018-12-21 CN disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 WO disclosed
US-20050004077-A1 Novel bisamidate phosphonate prodrugs JIANG TAO (US) 2005-01-06 US disclosed
CN-1434828-A Novel bisaminophosphonate prodrugs METABASIS THERAPEUTICS INC (US) 2003-08-06 CN disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 US disclosed
US-5750789-A FROM CORRESPONDING DIAMINE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-12 US disclosed
WO-1997013767-A1 HETEROCYCLICALLY-SUBSTITUTED 1-INDOLE CARBOXAMIDES AS CYCLO-OXYGENASE-2 INHIBITORS CHEMISCH PHARMAZEUTISCHE FORSCHUNGSGESELLSCHAFT MBH (AT) 1997-04-17 WO disclosed
US-5498687-A Unsaturated imide compounds containing alicyclic structure, process for producing the same and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-03-12 US disclosed
US-5444165-A Reacting diamino compound with unsaturated dicarboxylic anhydride to form amic acid intermediate, catalytic dehydration-ring closing; solvent soluble, low water absorption and flexibility SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-08-22 US disclosed
US-5326881-A Polymers with good heat resistance, good flexibility and low water absorption SUMITOMO CHEMICAL COMPANY LTD. (JP) 1994-07-05 US disclosed
EP-0595230-A1 Unsaturated imide compounds containing alicyclic structure SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-05-04 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 (4 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 TSHR 3350/4885MAPK1 434/4885CA1 1683/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 TSHR 3215/4885MAPK1 926/4885CA1 2181/4885
US-20240366770-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN TSHR 2917/4885MAPK1 1826/4885CA1 4789/4885
US-10703762-B2 Compound, material for organic electroluminescence device, organic electroluminescence device and electronic apparatus PIEZO1, OR10J3, EPCAM TSHR 4280/4885MAPK1 977/4885CA1 2401/4885

“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.