SCHEMBL16615809

SCHEMBL16615809

CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.81
ALDH1A1 P00352 3/20 0.81
HTT P42858 2/20 0.81
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
USP2 O75604 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA9 Q16790 4/20 0.54
ABCC9 O60706 1/20 0.54
ABCC8 Q09428 1/20 0.54
KCNJ11 Q14654 1/20 0.54
KCNJ8 Q15842 1/20 0.54
ESR1 P03372 1/20 0.54

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
SCHEMBL17947760 0.90 HTT (0.72) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL16615495 0.80 LMNA (0.66) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL16615819 0.78 LMNA (0.64) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL16615520 0.76 MAPT (0.66) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL4189849 0.76 CA9 (0.68) NPSR1HTTMEN1KMT2APOLB
SCHEMBL14055471 0.74 HTT (0.59) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL9845442 0.74 LDLR (0.69) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL12218161 0.74 ALDH1A1 (0.62) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL16615487 0.73 MAPT (0.69) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL13167582 0.73 CNR2 (0.62) NPSR1ALDH1A1HTTMEN1KMT2A

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 NPSR1 3361/4885ALDH1A1 4383/4885HTT 236/4885

“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.