SCHEMBL18330569

SCHEMBL18330569

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

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.81
EDNRB P24530 19/20 0.81
SLC6A2 P23975 1/20 0.81
TSPO P30536 1/20 0.81
DRD3 P35462 1/20 0.81

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 0.97 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL12973800 0.94 EDNRA (0.78) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL16135263 0.90 EDNRA (0.76) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL29378853 0.90 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL1445625 0.90 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18833088 0.89 EDNRA (0.75) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL12102199 0.89 EDNRA (0.81) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL19569175 0.88 EDNRA (0.89) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL22516164 0.87 EDNRA (0.69) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL19569102 0.87 EDNRA (0.88) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2016203489-A1 PROCESS FOR THE PREPARATION OF MACITENTAN AND INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2016-12-22 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 (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-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

“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.