SCHEMBL916479

SCHEMBL916479

CN(C(=O)OC(C)(C)C)c1ccc2c(S(=O)(=O)c3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
MET P08581 1/20 0.35
MDM2 Q00987 1/20 0.35
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 4/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL917442 0.85 BRD4 (0.35) BRD4MEN1KMT2AALDH1A1LMNA
SCHEMBL916224 0.80 L3MBTL1 (0.34) BRD4MEN1KMT2AALDH1A1
SCHEMBL711459 0.80 TP53 (0.49) HTR6TP53MEN1KMT2ATHRB
SCHEMBL916636 0.78 MDM2 (0.42) HTR6MDM2TP53MEN1KMT2A
SCHEMBL916634 0.78 KMT2A (0.42) HTR6MDM2TP53MEN1KMT2A
SCHEMBL716247 0.78 SLC6A4 (0.33) MEN1KMT2AALDH1A1LMNA
SCHEMBL916862 0.77 BRD4 (0.37) BRD4MEN1KMT2AALDH1A1LMNA
SCHEMBL916278 0.76 SLC6A4 (0.36) BRD4TP53RXFP1ALDH1A1LMNA
SCHEMBL916638 0.75 BRD4 (0.39) BRD4MEN1KMT2AALDH1A1LMNA
SCHEMBL916730 0.75 BRD4 (0.39) BRD4TP53MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP disclosed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG HTR6 734/4885MET 642/4885MDM2 1583/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 HTR6 209/4885MET 587/4885MDM2 3011/4885

“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.