SCHEMBL16615523

SCHEMBL16615523

Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)cnn1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
MAPT P10636 1/20 0.72
MAPK1 P28482 2/20 0.68
HSP90AA1 P07900 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
HPGD P15428 2/20 0.61
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SPR P35270 2/20 0.54
SLC9A1 P19634 1/20 0.53
SLC9A2 Q9UBY0 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.53
PTGS2 P35354 1/20 0.52

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
SCHEMBL16615787 0.84 ALDH1A1 (0.81) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL16615651 0.82 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL17952790 0.81 HPGD (0.57) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL2852098 0.78 GPR142 (0.52) ALDH1A1MAPTMAPK1POLB
SCHEMBL27405 0.78 MAPK1 (0.78) MAPTMAPK1HPGDNPC1RAB9A
SCHEMBL2544046 0.76 MAPK1 (1.00) MAPTMAPK1HPGDNPC1RAB9A
SCHEMBL2856089 0.76 HPGD (1.00) MAPK1HPGDNPC1RAB9AKMT2A
SCHEMBL19902355 0.76 MAPK1 (0.69) ALDH1A1MAPTMAPK1HPGDNPC1
SCHEMBL16615748 0.75 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL3517559 0.75 MAPK1 (0.73) ALDH1A1MAPTMAPK1HPGDNPC1

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 4383/4885MAPT 417/4885MAPK1 1991/4885
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF FBL, HNRNPA1, HNRNPUL1 ALDH1A1 4383/4885MAPT 417/4885MAPK1 1991/4885

“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.