SCHEMBL16615787

SCHEMBL16615787

Cc1c(C(=O)N(Cc2ccccc2)Cc2cccnc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.81
MAPT P10636 1/20 0.81
MAPK1 P28482 2/20 0.71
HSP90AA1 P07900 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALKBH5 Q6P6C2 1/20 0.50
KCNA5 P22460 2/20 0.48
ABCB1 P08183 1/20 0.48
NAMPT P43490 1/20 0.48
HPGD P15428 1/20 0.46
SPR P35270 1/20 0.45
CCR1 P32246 2/20 0.45

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
SCHEMBL16615523 0.84 ALDH1A1 (0.72) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL16615651 0.83 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL2853095 0.82 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL2854614 0.74 MAPT (0.49) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL2854667 0.73 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL1420155 0.72 KMT2A (0.61) ALDH1A1MAPK1HSP90AA1NPSR1KMT2A
SCHEMBL12201357 0.71 KCNA5 (0.81) ALDH1A1KMT2AMEN1KCNA5NAMPT
SCHEMBL12202004 0.70 KDM4E (0.76) ALDH1A1MAPTNPSR1KMT2AALKBH5
SCHEMBL24069261 0.69 GAA (0.50) ALDH1A1MAPK1NPSR1KMT2AMEN1
SCHEMBL25911035 0.69 KMT2A (0.52) MAPTMAPK1NPSR1KMT2AMEN1

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 4383/4885MAPT 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.