SCHEMBL710045

SCHEMBL710045

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.41
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 7/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36

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
SCHEMBL3258358 0.91 LMNA (0.41) ALDH1A1L3MBTL1POLBSLC6A2SLC6A4
SCHEMBL710137 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1POLBSLC6A2SLC6A4
SCHEMBL915088 0.90 SLC6A2 (0.37) PDE7AALDH1A1L3MBTL1POLBSLC6A2
SCHEMBL3256709 0.90 LMNA (0.37) PDE7AALDH1A1L3MBTL1POLBSLC6A2
SCHEMBL711220 0.90 ABCC9 (0.41) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL916625 0.89 SLC6A2 (0.39) PDE7AALDH1A1L3MBTL1POLBSLC6A2
SCHEMBL710566 0.88 ABCC9 (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL916280 0.87 MAPT (0.39) PDE7AALDH1A1L3MBTL1POLBSLC6A2
SCHEMBL916282 0.87 SLC6A4 (0.35) PDE7AALDH1A1L3MBTL1POLBSLC6A2
SCHEMBL916097 0.86 KMT2A (0.39) PDE7AALDH1A1L3MBTL1POLBSLC6A2

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 12 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-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 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-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 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
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 PDE7A 935/4885ALDH1A1 1052/4885L3MBTL1 4830/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG PDE7A 1353/4885ALDH1A1 773/4885L3MBTL1 4724/4885

“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.