SCHEMBL16615486

SCHEMBL16615486

CCC(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 2/20 0.62
TP53 P04637 2/20 0.62
MAPT P10636 2/20 0.62
ALOX15 P16050 1/20 0.62
HTT P42858 1/20 0.62
RECQL P46063 1/20 0.62
NAMPT P43490 1/20 0.57
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57

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
SCHEMBL16615511 0.99 KCNQ2 (0.67) KCNQ2SMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL16615537 0.90 ALDH1A1 (0.60) KCNQ2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL16615846 0.89 ALDH1A1 (0.70) KCNQ2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL16615491 0.88 LMNA (0.64) KCNQ2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7655884 0.86 KMT2A (0.71) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL7651873 0.84 KMT2A (0.69) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7649651 0.82 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL9138268 0.79 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL12793415 0.79 KMT2A (0.63) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL29327316 0.77 LMNA (0.66) ALDH1A1KMT2AKDM4EMEN1LMNA

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 KCNQ2 3084/4885SMN1; SMN2 81/4885ALDH1A1 4383/4885

“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.