Sugi Predict

Sugi Predict / Compounds / SCHEMBL3258358

SCHEMBL3258358

SCHEMBL3258358

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ MAPT P10636 6/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL710137 0.92 ALDH1A1 (0.39) LMNAKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL710045 0.91 PDE7A (0.41) LMNAKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL3256709 0.88 LMNA (0.37) LMNAKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL711220 0.88 ABCC9 (0.41) LMNAKMT2AALDH1A1MEN1HTT
SCHEMBL916280 0.88 MAPT (0.39) LMNAKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL916625 0.87 SLC6A2 (0.39) LMNAKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL916097 0.87 KMT2A (0.39) LMNAKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL710566 0.87 ABCC9 (0.37) LMNAKMT2AALDH1A1MEN1HTT
SCHEMBL915088 0.86 SLC6A2 (0.37) LMNAKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL13356738 0.86 MAPT (0.39) LMNAKMT2AL3MBTL1ALDH1A1MEN1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3778/4885KMT2A 1608/4885L3MBTL1 4830/4885

“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.