SCHEMBL19934102

SCHEMBL19934102

[N-]=[N+]=NC(=O)C(CCCN(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)N(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
FOLH1 Q04609 6/20 0.44
HTT P42858 1/20 0.43
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A1 P43005 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TGM2 P21980 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
DPP4 P27487 1/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL19726693 0.86 FOLH1 (0.54) CCR6PAX8FOLH1HTTKEAP1
SCHEMBL19934104 0.80 CCR6 (0.53) CCR6PAX8FOLH1HTTKEAP1
SCHEMBL19726694 0.77 LMNA (0.48) CCR6PAX8FOLH1HTTLMNA
SCHEMBL9699451 0.77 CCR6 (0.64) CCR6PAX8FOLH1HTTKEAP1
SCHEMBL2076254 0.75 CCR6 (0.62) CCR6PAX8FOLH1HTTKEAP1
SCHEMBL19934100 0.74 SYK (0.50) CCR6PAX8FOLH1HTT
SCHEMBL416941 0.74 CCR6 (0.64) CCR6PAX8FOLH1HTTKEAP1
SCHEMBL415520 0.74 CCR6 (0.64) CCR6PAX8FOLH1HTTKEAP1
SCHEMBL7858197 0.74 CCR6 (0.64) CCR6PAX8FOLH1HTTKEAP1
SCHEMBL413768 0.74 CCR6 (0.64) CCR6PAX8FOLH1HTTKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 US disclosed
WO-2019173639-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2019-09-12 WO disclosed
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2019-03-26 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
WO-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 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-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CCR6 355/4885PAX8 3076/4885FOLH1 26/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CCR6 355/4885PAX8 3076/4885FOLH1 26/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CCR6 355/4885PAX8 3076/4885FOLH1 26/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 CCR6 355/4885PAX8 3076/4885FOLH1 26/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CCR6 355/4885PAX8 3076/4885FOLH1 26/4885

“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.