SCHEMBL19732779

SCHEMBL19732779

CCC(=O)NCCOCCNC(=S)Nc1ccc(N=C=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.61
ALDH1A1 P00352 7/20 0.48
LMNA P02545 3/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL17885921 0.99 P2RY6 (0.60) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL19732505 0.88 P2RY6 (0.64) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL19732526 0.88 P2RY6 (0.67) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL19057216 0.87 P2RY6 (0.62) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL19057217 0.87 P2RY6 (0.65) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL19732544 0.87 P2RY6 (0.69) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL17885893 0.85 P2RY6 (0.60) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL24179730 0.84 P2RY6 (0.65) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL17175241 0.84 P2RY6 (0.58) P2RY6ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL24375585 0.84 P2RY6 (0.58) P2RY6ALDH1A1LMNARAB9AL3MBTL1

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 8 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
WO-2023150540-A1 HYDROXAMIC ACID MACROCYCLIC AGENTS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2023-08-10 WO disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 US disclosed
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 US 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
WO-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 WO disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM P2RY6 4355/4885ALDH1A1 1477/4885LMNA 1626/4885
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885ALDH1A1 2862/4885LMNA 3330/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM P2RY6 4355/4885ALDH1A1 1477/4885LMNA 1626/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885ALDH1A1 2862/4885LMNA 3330/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885ALDH1A1 2862/4885LMNA 3330/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 P2RY6 2041/4885ALDH1A1 2862/4885LMNA 3330/4885

“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.