SCHEMBL16615588

SCHEMBL16615588

CCCc1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cnn1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.66
MAPK1 P28482 3/20 0.66
NPSR1 Q6W5P4 2/20 0.66
HSP90AA1 P07900 1/20 0.66
GPR142 Q7Z601 1/20 0.53
TSHR P16473 3/20 0.49
HTT P42858 1/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
NR4A3 Q92570 1/20 0.44

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
SCHEMBL2852098 0.85 GPR142 (0.52) ALDH1A1MAPK1GPR142TSHRMAPT
SCHEMBL16615747 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1NPSR1HSP90AA1TSHR
SCHEMBL16615651 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1NPSR1HSP90AA1TSHR
SCHEMBL1284837 0.74 LPAR1 (0.62) NR4A3
SCHEMBL16615523 0.74 ALDH1A1 (0.72) ALDH1A1MAPK1NPSR1HSP90AA1MAPT
SCHEMBL2850014 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1NPSR1HSP90AA1MAPT
SCHEMBL773204 0.73 NR4A3 (0.78) ALDH1A1MAPK1MAPTGAALMNA
SCHEMBL13593554 0.72 ALDH1A1 (0.63) ALDH1A1MAPK1MAPTGAALMNA
SCHEMBL2854493 0.72 GPR142 (0.56) ALDH1A1MAPK1NPSR1HSP90AA1GPR142
SCHEMBL12354132 0.71 TSHR (0.86) ALDH1A1MAPK1NPSR1HSP90AA1TSHR

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 4383/4885MAPK1 1991/4885NPSR1 3361/4885

“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.