SCHEMBL13819976

SCHEMBL13819976

COc1ccccc1Cn1cc(CNC(=O)c2coc(-c3ccccc3)n2)nn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.54
DGAT2 Q96PD7 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SCD5 Q86SK9 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL12339943 0.86 SCD5 (0.49) ANPEPDGAT2TDP1SCD5HTT
SCHEMBL12339937 0.85 HDAC1 (0.50) HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13819984 0.83 MAOB (0.54) HDAC1HDAC8HDAC6
SCHEMBL12902828 0.79 MAOB (0.48) ANPEPDGAT2HDAC1HDAC8HDAC6
SCHEMBL12339928 0.79 TUBB4A (0.54) ANPEPDGAT2
SCHEMBL4895576 0.79 MEN1 (0.55) DGAT2TDP1HTTMEN1KMT2A
SCHEMBL12339960 0.78 HDAC1 (0.52) HDAC1HDAC8HDAC6
SCHEMBL4896516 0.76 MAOB (0.54) DGAT2TDP1HTTMEN1KMT2A
SCHEMBL12339963 0.76 TUBB4A (0.57) ANPEPDGAT2
SCHEMBL12339959 0.74 TUBB4A (0.51) ANPEPDGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729270-B2 Anti-cancer compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-05-20 US disclosed
US-8729270-B2 Anti-cancer compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-05-20 US disclosed
US-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-11-15 US disclosed
US-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-11-15 US 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-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME MCL1, BRDT, GLS ANPEP 3543/4885DGAT2 2408/4885TDP1 2313/4885

“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.