SCHEMBL710566

SCHEMBL710566

CC(C)(C)OC(=O)Nc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GNRHR P30968 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RORC P51449 7/20 0.34
SLC29A1 Q99808 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL710045 0.88 PDE7A (0.41) ABCC9ABCC8KCNJ11KCNJ8SLC6A2
SCHEMBL915401 0.87 HDAC10 (0.37) ACSS2RORCMEN1ALDH1A1KMT2A
SCHEMBL711220 0.87 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8SLC6A2
SCHEMBL3258358 0.87 LMNA (0.41) SLC6A2SLC6A4SLC6A3LMNATP53
SCHEMBL916416 0.87 GNRHR (0.39) ACSS2GNRHRLMNAMAPTRORC
SCHEMBL710137 0.86 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3LMNATP53
SCHEMBL917717 0.86 SMN1; SMN2 (0.32) ABCC9ABCC8KCNJ11KCNJ8SLC6A2
SCHEMBL916474 0.85 IMPDH2 (0.40) ACSS2LMNAMAPTRORCMEN1
SCHEMBL3256709 0.85 LMNA (0.37) ABCC9ABCC8KCNJ11KCNJ8SLC6A2
SCHEMBL916206 0.85 GNRHR (0.39) ABCC9ABCC8KCNJ11KCNJ8ACSS2

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 9 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-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 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-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 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 (4 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG ABCC9 2994/4885ABCC8 2544/4885KCNJ11 2886/4885
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG ABCC9 2067/4885ABCC8 1553/4885KCNJ11 3473/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ABCC9 3868/4885ABCC8 2991/4885KCNJ11 3232/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ABCC9 1793/4885ABCC8 1404/4885KCNJ11 2442/4885

“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.