SCHEMBL710137

SCHEMBL710137

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
YES1 P07947 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RECQL P46063 2/20 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
SCHEMBL3258358 0.92 LMNA (0.41) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL710045 0.90 PDE7A (0.41) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL3256709 0.89 LMNA (0.37) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL711220 0.89 ABCC9 (0.41) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL710283 0.86 RAB9A (0.39) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL916625 0.86 SLC6A2 (0.39) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL710566 0.86 ABCC9 (0.37) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL917414 0.86 SLC6A2 (0.35) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL13356737 0.85 MAPK1 (0.39) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL915088 0.85 SLC6A2 (0.37) ALDH1A1KMT2AMEN1LMNAMAPT

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 21 patents — showing the first 20. 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 claimed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US claimed
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
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 1052/4885KMT2A 1608/4885MEN1 1829/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885KMT2A 1247/4885MEN1 860/4885

“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.