SCHEMBL16615537

SCHEMBL16615537

CCC(C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KCNQ2 O43526 1/20 0.58
TSHR P16473 1/20 0.57
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 2/20 0.56

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 0.91 KCNQ2 (0.67) ALDH1A1SMN1; SMN2KCNQ2KMT2ACRHBP
SCHEMBL16615486 0.90 KCNQ2 (0.66) ALDH1A1SMN1; SMN2KCNQ2KMT2ACRHBP
SCHEMBL16615846 0.88 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KCNQ2KMT2AHPGD
SCHEMBL7651042 0.87 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TSHRKMT2AHPGD
SCHEMBL16615491 0.87 LMNA (0.64) ALDH1A1SMN1; SMN2KCNQ2KMT2AMEN1
SCHEMBL19377452 0.79 NAMPT (0.63) ALDH1A1SMN1; SMN2TSHRKMT2AHPGD
SCHEMBL19377451 0.79 NAMPT (0.63) ALDH1A1SMN1; SMN2TSHRKMT2AHPGD
SCHEMBL9138268 0.78 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KMT2ACRHBPCRHR2
SCHEMBL22501805 0.77 ALDH1A1 (0.90) ALDH1A1SMN1; SMN2TSHRKMT2AHPGD
SCHEMBL16615822 0.76 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KCNQ2KMT2ACRHBP

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

“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.