SCHEMBL12973800

SCHEMBL12973800

CCCNS(=O)(=O)Nc1ncnc(OCCO)c1-c1ccc(Br)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.78
EDNRB P24530 19/20 0.78
SLC6A2 P23975 1/20 0.78
TSPO P30536 1/20 0.78
DRD3 P35462 1/20 0.78

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
SCHEMBL23876322 0.95 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18330569 0.94 EDNRA (0.81) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL19569100 0.90 EDNRA (0.64) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8267995 0.90 EDNRA (0.71) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18929786 0.89 EDNRA (0.63) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL29378853 0.88 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL16135263 0.88 EDNRA (0.76) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL1445625 0.88 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL22516164 0.88 EDNRA (0.69) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18833088 0.87 EDNRA (0.75) EDNRAEDNRBSLC6A2TSPODRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143680-A Preparation method of macitentan impurity B 河北科技大学 2024-12-17 CN claimed
CN-119143680-A Preparation method of macitentan impurity B 河北科技大学 2024-12-17 CN disclosed
CN-119143680-A Preparation method of macitentan impurity B 河北科技大学 2024-12-17 CN disclosed
US-11667610-B2 Method for preparing Macitentan and intermediate compound thereof Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2023-06-06 US disclosed
US-11667610-B2 Method for preparing Macitentan and intermediate compound thereof Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2023-06-06 US disclosed
US-11649216-B2 Method for preparing Macitentan and intermediate compound thereof Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2023-05-16 US disclosed
US-11649216-B2 Method for preparing Macitentan and intermediate compound thereof Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2023-05-16 US disclosed
US-20210300880-A1 METHOD FOR PREPARING MACITENTAN AND INTERMEDIATE COMPOUND THEREOF Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2021-09-30 US disclosed
WO-2020201479-A1 MACITENTAN FOR USE IN TREATING PORTOPULMONARY HYPERTENSION ACTELION PHARMACEUTICALS LTD (CH) 2020-10-08 WO disclosed
US-10669264-B2 Process for the preparation of macitentan LAURUS LABS LIMITED (IN) 2020-06-02 US disclosed
EP-3019479-A1 PROCESS FOR PREPARING A PYRIMIDINE INTERMEDIATE Actelion Pharmaceuticals Ltd. (CH) 2016-05-18 EP disclosed
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-25 US disclosed
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-25 US disclosed
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-25 US disclosed
EP-2978746-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN Actelion Pharmaceuticals Ltd. (CH) 2016-02-03 EP disclosed
WO-2015004265-A1 PROCESS FOR PREPARING A PYRIMIDINE INTERMEDIATE ACTELION PHARMACEUTICALS LTD (CH) 2015-01-15 WO disclosed
WO-2015004265-A1 PROCESS FOR PREPARING A PYRIMIDINE INTERMEDIATE ACTELION PHARMACEUTICALS LTD (CH) 2015-01-15 WO disclosed
WO-2014155304-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD (CH) 2014-10-02 WO disclosed
WO-2014155304-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD (CH) 2014-10-02 WO disclosed
WO-2010144477-A2 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-12-16 WO 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 (5 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-10669264-B2 Process for the preparation of macitentan MACO1, MLEC, MPST EDNRA 3404/4885EDNRB 4041/4885SLC6A2 721/4885
US-11649216-B2 Method for preparing Macitentan and intermediate compound thereof TPMT, NUDT1, DHPS EDNRA 4090/4885EDNRB 3570/4885SLC6A2 1379/4885
US-11667610-B2 Method for preparing Macitentan and intermediate compound thereof TPMT, NUDT1, DHPS EDNRA 4090/4885EDNRB 3570/4885SLC6A2 1379/4885
US-20210300880-A1 METHOD FOR PREPARING MACITENTAN AND INTERMEDIATE COMPOUND THEREOF TPMT, NUDT1, DPYD EDNRA 4202/4885EDNRB 3659/4885SLC6A2 1646/4885
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN DPYD, TYMS, TYMP EDNRA 4008/4885EDNRB 3896/4885SLC6A2 2049/4885

“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.