SCHEMBL17972729

SCHEMBL17972729

Cc1ccc(NC(=S)NCCCCC(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.65
LMNA P02545 7/20 0.60
MAPT P10636 5/20 0.60
ALOX12 P18054 2/20 0.60
HPGD P15428 2/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
HTT P42858 5/20 0.55
ALDH1A1 P00352 3/20 0.55
RECQL P46063 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GLA P06280 1/20 0.53
QPCT Q16769 1/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL25474697 0.85 LMNA (0.57) SMN1; SMN2LMNAMAPTALOX12HPGD
SCHEMBL17982696 0.81 LMNA (0.65) SMN1; SMN2LMNAMAPTALOX12HPGD
SCHEMBL19726685 0.81 SMN1; SMN2 (0.60) SMN1; SMN2LMNAMAPTALOX12HPGD
SCHEMBL15739655 0.81 P2RY6 (0.75) SMN1; SMN2LMNAMAPTALOX12HPGD
SCHEMBL21338327 0.80 LMNA (0.51) SMN1; SMN2LMNAMAPTALOX12HPGD
SCHEMBL25840781 0.79 RECQL (0.56) SMN1; SMN2LMNAMAPTALOX12HPGD
SCHEMBL11772198 0.77 CDK1 (0.63) SMN1; SMN2LMNAMAPTALOX12HPGD
SCHEMBL25517525 0.77 CYP1A2 (0.72) SMN1; SMN2LMNAMAPTALOX12MEN1
SCHEMBL27941612 0.77 RECQL (0.54) SMN1; SMN2LMNAMAPTALOX12MEN1
SCHEMBL29043442 0.76 RECQL (0.53) SMN1; SMN2LMNAMAPTALOX12HPGD

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 6 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-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 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
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 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-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 SMN1; SMN2 3304/4885LMNA 3243/4885MAPT 1196/4885
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM SMN1; SMN2 2230/4885LMNA 1626/4885MAPT 1163/4885
US-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 SMN1; SMN2 2561/4885LMNA 3079/4885MAPT 1131/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 SMN1; SMN2 3628/4885LMNA 3330/4885MAPT 2173/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 SMN1; SMN2 3628/4885LMNA 3330/4885MAPT 2173/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 SMN1; SMN2 2561/4885LMNA 3079/4885MAPT 1131/4885

“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.