SCHEMBL916206

SCHEMBL916206

CC(C)(C)OC(=O)Nc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
SREBF2 Q12772 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC29A1 Q99808 1/20 0.35
MCL1 Q07820 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL3253081 0.88 MEN1 (0.41) GNRHRMEN1RAB9AKMT2AALDH1A1
SCHEMBL3256617 0.87 KMT2A (0.41) GNRHRMEN1NPC1RAB9AKMT2A
SCHEMBL916182 0.87 ACSS2 (0.38) NPC1RAB9AACSS2SREBF2KDM4E
SCHEMBL916255 0.86 SLC22A12 (0.45) NPC1RAB9AACSS2SREBF2KDM4E
SCHEMBL916416 0.86 GNRHR (0.39) GNRHRMEN1RAB9AKMT2AACSS2
SCHEMBL916385 0.86 ALDH1A1 (0.34) GNRHRMEN1NPC1RAB9AKMT2A
SCHEMBL916272 0.85 SLC22A12 (0.39) MEN1KMT2AACSS2SREBF2ALDH1A1
SCHEMBL916230 0.85 IMPDH2 (0.40) MEN1KMT2AACSS2SREBF2ALDH1A1
SCHEMBL916140 0.85 AURKA (0.40) NPC1RAB9AACSS2SREBF2KDM4E
SCHEMBL711272 0.85 MEN1 (0.38) GNRHRMEN1NPC1RAB9AKMT2A

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 GNRHR 29/4885MEN1 326/4885NPC1 694/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 GNRHR 17/4885MEN1 2248/4885NPC1 1001/4885

“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.