SCHEMBL916385

SCHEMBL916385

CC(C)(C)OC(=O)N(Nc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 2/20 0.34
GNRHR P30968 1/20 0.34
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CFTR P13569 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL916662 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EGNRHRMAPK1SLC6A2
SCHEMBL917626 0.87 KDM4E (0.35) ALDH1A1KDM4EGNRHRSLC6A2SLC6A4
SCHEMBL917717 0.86 SMN1; SMN2 (0.32) ALDH1A1MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL916206 0.86 GNRHR (0.39) ALDH1A1KDM4EGNRHRSLC6A2SLC6A4
SCHEMBL916895 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EMAPK1SLC6A2SLC6A4
SCHEMBL3253081 0.81 MEN1 (0.41) ALDH1A1KDM4EGNRHRSLC6A2SLC6A4
SCHEMBL915683 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EMAPK1SLC6A2SLC6A4
SCHEMBL3256617 0.79 KMT2A (0.41) ALDH1A1KDM4EGNRHRSLC6A2SLC6A4
SCHEMBL915447 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1SLC6A2SLC6A4
SCHEMBL918074 0.79 BRD4 (0.34) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT

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 3 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
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG ALDH1A1 420/4885KDM4E 1670/4885GNRHR 29/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ALDH1A1 2340/4885KDM4E 1577/4885GNRHR 17/4885

“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.