SCHEMBL715228

SCHEMBL715228

CC(C)(C)OC(=O)N(c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cncnc3)c2c1)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cncnc3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MET P08581 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC29A1 Q99808 1/20 0.31
PDE7A Q13946 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3074461 0.89 ALDH1A1 (0.33) ALDH1A1LMNANPSR1MAPTPOLB
SCHEMBL716247 0.88 SLC6A4 (0.33) ALDH1A1LMNANPSR1MAPTPOLB
SCHEMBL914973 0.85 KDM4E (0.36) ALDH1A1LMNANPSR1MAPTPOLB
SCHEMBL916862 0.84 BRD4 (0.37) ALDH1A1LMNANPSR1MAPTPOLB
SCHEMBL917626 0.82 KDM4E (0.35) ALDH1A1LMNANPSR1MAPTSLC6A2
SCHEMBL917442 0.81 BRD4 (0.35) ALDH1A1LMNANPSR1MAPTPOLB
SCHEMBL917639 0.80 MAPT (0.40) ALDH1A1LMNANPSR1MAPTPOLB
SCHEMBL917635 0.80 RECQL (0.40) ALDH1A1LMNANPSR1MAPTPOLB
SCHEMBL708494 0.80 CNR1 (0.37) ALDH1A1LMNAPOLBPDE4APDE4B
SCHEMBL917572 0.79 MEN1 (0.39) ALDH1A1LMNANPSR1MAPTPOLB

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-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 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 (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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG ALDH1A1 1052/4885LMNA 3778/4885NPSR1 109/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885LMNA 3643/4885NPSR1 70/4885

“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.