SCHEMBL712111

SCHEMBL712111

O=CNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cncnc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HTT P42858 4/20 0.35
LMNA P02545 3/20 0.35
PDE7A Q13946 2/20 0.34
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
MAPT P10636 5/20 0.34
GAA P10253 1/20 0.34
ALPG P10696 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1I2 O75469 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL917542 0.89 SLC6A2 (0.38) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL13140463 0.86 SLC22A12 (0.34) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL13356750 0.85 PDE4A (0.32) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL707715 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL708822 0.83 PDE7A (0.36) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL708494 0.81 CNR1 (0.37) ALDH1A1SMN1; SMN2LMNAPDE7AKMT2A
SCHEMBL10131620 0.81 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL916327 0.80 HTT (0.38) ALDH1A1SMN1; SMN2HTTLMNAKMT2A
SCHEMBL915440 0.79 MAPT (0.39) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL916535 0.78 APP (0.37) ALDH1A1SMN1; SMN2HTTLMNAKMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4643989-B2 2011-03-02 JP claimed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP claimed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US claimed
JP-2006507293-A 2006-03-02 JP claimed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP claimed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO claimed
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
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 ALDH1A1 1052/4885SMN1; SMN2 4743/4885HTT 2200/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885SMN1; SMN2 4512/4885HTT 1125/4885

“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.