SCHEMBL15739655

SCHEMBL15739655

CC(C)CCCCNC(=S)Nc1ccc(N=C=S)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.75
MAPT P10636 7/20 0.57
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 5/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
LMNA P02545 9/20 0.52
ALOX12 P18054 2/20 0.52
SMN1; SMN2 Q16637 7/20 0.49
HTT P42858 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RECQL P46063 1/20 0.49
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
ADORA1 P30542 2/20 0.41

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
SCHEMBL19057215 0.85 P2RY6 (0.81) P2RY6MAPTKMT2AALDH1A1MEN1
SCHEMBL17885936 0.84 P2RY6 (0.62) P2RY6MAPTKMT2AALDH1A1MEN1
SCHEMBL17175243 0.83 P2RY6 (0.61) P2RY6MAPTKMT2AALDH1A1MEN1
SCHEMBL21767236 0.83 P2RY6 (0.81) P2RY6MAPTKMT2AALDH1A1MEN1
SCHEMBL13326826 0.81 P2RY6 (0.83) P2RY6MAPTKMT2AALDH1A1MEN1
SCHEMBL17972729 0.81 SMN1; SMN2 (0.65) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL17565744 0.81 P2RY6 (0.77) P2RY6MAPTKMT2AALDH1A1MEN1
SCHEMBL25474697 0.79 LMNA (0.57) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL3913796 0.78 P2RY6 (0.78) P2RY6MAPTKMT2AALDH1A1MEN1
SCHEMBL14605344 0.78 P2RY6 (0.72) P2RY6MAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 US disclosed
EP-3129350-B1 MACROCYCLES LUMIPHORE INC (US) 2021-10-27 EP 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
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
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 US disclosed
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 US disclosed
WO-2014078690-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2014-05-22 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 (8 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 4355/4885MAPT 1163/4885KMT2A 3740/4885
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885MAPT 2173/4885KMT2A 3990/4885
US-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 P2RY6 4014/4885MAPT 1131/4885KMT2A 4535/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM P2RY6 4355/4885MAPT 1163/4885KMT2A 3740/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885MAPT 2173/4885KMT2A 3990/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 P2RY6 4014/4885MAPT 1131/4885KMT2A 4535/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 P2RY6 2041/4885MAPT 2173/4885KMT2A 3990/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 P2RY6 2041/4885MAPT 2173/4885KMT2A 3990/4885

“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.