Sugi Predict

Sugi Predict / Compounds / SCHEMBL711274

SCHEMBL711274

SCHEMBL711274

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.41
▸ SLC22A12 Q96S37 4/20 0.41
▸ MAPK1 P28482 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALKBH2 Q6NS38 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ ALKBH3 Q96Q83 1/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ GAA P10253 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
SCHEMBL3258210 0.92 LMNA (0.43) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL709130 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL709948 0.89 LMNA (0.45) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL3259250 0.89 SLC6A2 (0.47) ALDH1A1KDM4EKMT2AMEN1SLC22A12
SCHEMBL711766 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL916215 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL3253081 0.84 MEN1 (0.41) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL10131626 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL710542 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL709751 0.83 MAPT (0.47) ALDH1A1KDM4EKMT2AMEN1POLB

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 7 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
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 1052/4885KDM4E 2226/4885KMT2A 1608/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885KDM4E 2568/4885KMT2A 1247/4885

“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.