SCHEMBL16615747

SCHEMBL16615747

O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N(Cc1ccccc1)Cc1cccs1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
NPSR1 Q6W5P4 4/20 0.65
HSP90AA1 P07900 1/20 0.65
MAPK1 P28482 1/20 0.65
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.51
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL2851983 0.82 ALDH1A1 (0.61) ALDH1A1NPSR1HSP90AA1MAPK1MAPT
SCHEMBL16615588 0.81 ALDH1A1 (0.66) ALDH1A1NPSR1HSP90AA1MAPK1MAPT
SCHEMBL16615651 0.78 ALDH1A1 (1.00) ALDH1A1NPSR1HSP90AA1MAPK1MAPT
SCHEMBL2852994 0.77 ALDH1A1 (0.56) ALDH1A1NPSR1HSP90AA1MAPK1MAPT
SCHEMBL10365422 0.77 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL2854667 0.77 ALDH1A1 (0.55) ALDH1A1NPSR1HSP90AA1MAPK1MAPT
SCHEMBL10852384 0.75 MAPT (0.64) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL10365006 0.73 MAPT (0.72) ALDH1A1NPSR1MAPK1MAPTSMN1; SMN2
SCHEMBL2853095 0.73 ALDH1A1 (0.58) ALDH1A1NPSR1HSP90AA1MAPK1MAPT
SCHEMBL2857362 0.72 ALDH1A1 (0.49) ALDH1A1NPSR1HSP90AA1MAPK1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092574-B2 Inhibitors of polynucleotide repeat-associated RNA foci and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2018-10-09 US disclosed
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
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 (2 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-10092574-B2 Inhibitors of polynucleotide repeat-associated RNA foci and uses thereof FBL, HNRNPA1, HNRNPUL1 ALDH1A1 4383/4885NPSR1 3361/4885HSP90AA1 1596/4885
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF FBL, HNRNPA1, HNRNPUL1 ALDH1A1 4383/4885NPSR1 3361/4885HSP90AA1 1596/4885

“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.