SCHEMBL709130

SCHEMBL709130

CN(C)C(=O)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
GAA P10253 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL711274 0.89 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EMAPK1L3MBTL1
SCHEMBL3258210 0.88 LMNA (0.43) ALDH1A1LMNAKDM4EMAPK1L3MBTL1
SCHEMBL3259250 0.88 SLC6A2 (0.47) ALDH1A1LMNAKDM4EMAPK1HTT
SCHEMBL709948 0.88 LMNA (0.45) ALDH1A1LMNAKDM4EMAPK1HTT
SCHEMBL13356693 0.85 OPRD1 (0.38) ALDH1A1KDM4EL3MBTL1SLC6A4SLC6A2
SCHEMBL916895 0.85 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMAPK1L3MBTL1
SCHEMBL710375 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1L3MBTL1SMN1; SMN2
SCHEMBL711766 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EMAPK1L3MBTL1
SCHEMBL3253081 0.82 MEN1 (0.41) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL916215 0.82 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMAPK1L3MBTL1

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 13 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
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO 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 3778/4885KDM4E 2226/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885LMNA 3643/4885KDM4E 2568/4885

“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.