SCHEMBL3256709

SCHEMBL3256709

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
MAPT P10636 5/20 0.37
TP53 P04637 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
ALDH1A1 P00352 5/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
GAA P10253 1/20 0.33
ALPG P10696 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
SCHEMBL710045 0.90 PDE7A (0.41) LMNAMAPTTP53SLC6A2SLC6A4
SCHEMBL710137 0.89 ALDH1A1 (0.39) LMNAMAPTTP53SLC6A2SLC6A4
SCHEMBL711220 0.88 ABCC9 (0.41) LMNAMAPTTP53SLC6A2SLC6A4
SCHEMBL3258358 0.88 LMNA (0.41) LMNAMAPTTP53SLC6A2SLC6A4
SCHEMBL13356739 0.86 KMT2A (0.38) MAPTMAPK1KMT2AMEN1ALDH1A1
SCHEMBL916625 0.86 SLC6A2 (0.39) LMNAMAPTTP53SLC6A2SLC6A4
SCHEMBL710566 0.85 ABCC9 (0.37) LMNAMAPTTP53SLC6A2SLC6A4
SCHEMBL917414 0.85 SLC6A2 (0.35) LMNAMAPTTP53SLC6A2SLC6A4
SCHEMBL915088 0.84 SLC6A2 (0.37) LMNAMAPTTP53SLC6A2SLC6A4
SCHEMBL916280 0.84 MAPT (0.39) LMNAMAPTSLC6A2SLC6A4SLC6A3

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 8 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-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

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 LMNA 3778/4885MAPT 1708/4885TP53 571/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG LMNA 3643/4885MAPT 1251/4885TP53 410/4885

“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.