SCHEMBL16615819

SCHEMBL16615819

CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 1/20 0.64
CA12 O43570 7/20 0.56
CA9 Q16790 7/20 0.56
CA1 P00915 4/20 0.56
ENPP3 O14638 2/20 0.55
ENPP1 P22413 2/20 0.55
ENPP2 Q13822 2/20 0.55
KMT2A Q03164 2/20 0.55
ABCC9 O60706 1/20 0.55
ABCC8 Q09428 1/20 0.55
KCNJ11 Q14654 1/20 0.55
KCNJ8 Q15842 1/20 0.55
RAB9A P51151 1/20 0.54
POLB P06746 3/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL16615495 0.96 LMNA (0.66) LMNANPSR1SMN1; SMN2HTTCA12
SCHEMBL4189849 0.79 CA9 (0.68) LMNANPSR1SMN1; SMN2HTTCA12
SCHEMBL16615809 0.78 NPSR1 (0.81) NPSR1HTTCA12CA9CA1
SCHEMBL2874980 0.75 LMNA (0.60) LMNANPSR1SMN1; SMN2HTTENPP3
SCHEMBL1240947 0.75 LMNA (0.66) LMNANPSR1SMN1; SMN2HTTENPP3
SCHEMBL10119209 0.75 MAPT (0.67) LMNANPSR1SMN1; SMN2HTTCA12
SCHEMBL16615519 0.74 MAPT (0.83) LMNANPSR1SMN1; SMN2HTTCA12
SCHEMBL17947763 0.74 CA9 (0.90) LMNANPSR1SMN1; SMN2HTTCA12
SCHEMBL16615501 0.73 CA1 (0.67) LMNANPSR1SMN1; SMN2CA12CA9
SCHEMBL12585053 0.73 CA9 (0.79) NPSR1SMN1; SMN2HTTCA12CA9

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-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 US disclosed
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 US disclosed
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 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 (1 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-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF FBL, HNRNPA1, HNRNPUL1 LMNA 705/4885NPSR1 3361/4885SMN1; SMN2 81/4885

“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.