SCHEMBL916662

SCHEMBL916662

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 2/20 0.36
BRD4 O60885 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MET P08581 1/20 0.32
GNRHR P30968 1/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL918074 0.90 BRD4 (0.34) ALDH1A1BRD4L3MBTL1MAPTPOLB
SCHEMBL916869 0.89 BRD4 (0.33) ALDH1A1BRD4L3MBTL1MAPTPOLB
SCHEMBL916385 0.88 ALDH1A1 (0.34) ALDH1A1KDM4EL3MBTL1MAPTPOLB
SCHEMBL916862 0.88 BRD4 (0.37) ALDH1A1BRD4L3MBTL1MAPTPOLB
SCHEMBL916739 0.88 BRD4 (0.34) ALDH1A1BRD4L3MBTL1MAPTPOLB
SCHEMBL917652 0.86 BRD4 (0.34) ALDH1A1BRD4L3MBTL1MAPTPOLB
SCHEMBL914973 0.86 KDM4E (0.36) ALDH1A1KDM4EBRD4L3MBTL1MAPT
SCHEMBL916895 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1MAPTPOLB
SCHEMBL916278 0.86 SLC6A4 (0.36) ALDH1A1BRD4L3MBTL1MAPTPOLB
SCHEMBL917623 0.86 F2 (0.36) ALDH1A1KDM4EBRD4MAPTPOLB

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 ALDH1A1 420/4885KDM4E 1670/4885BRD4 867/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ALDH1A1 2340/4885KDM4E 1577/4885BRD4 688/4885

“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.