SCHEMBL716247

SCHEMBL716247

CC(C)(C)OC(=O)N(c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDE7A Q13946 1/20 0.31
SLC2A1 P11166 1/20 0.31
HTT P42858 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL917442 0.93 BRD4 (0.35) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL917717 0.89 SMN1; SMN2 (0.32) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL715228 0.88 ALDH1A1 (0.35) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL917293 0.84 PDE7A (0.36) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL916862 0.84 BRD4 (0.37) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL710566 0.84 ABCC9 (0.37) SLC6A4SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL916278 0.82 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL916224 0.82 L3MBTL1 (0.34) ALDH1A1MAPTL3MBTL1GAAKMT2A
SCHEMBL917572 0.81 MEN1 (0.39) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL917639 0.81 MAPT (0.40) SLC6A4SLC6A2SLC6A3ALDH1A1POLB

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-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
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 SLC6A4 667/4885SLC6A2 1700/4885SLC6A3 1637/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG SLC6A4 240/4885SLC6A2 516/4885SLC6A3 399/4885

“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.