SCHEMBL918074

SCHEMBL918074

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cscn3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PAX8 Q06710 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MET P08581 1/20 0.32
P2RX3 P56373 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 0.90 ALDH1A1 (0.36) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL916869 0.88 BRD4 (0.33) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL916862 0.87 BRD4 (0.37) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL916739 0.85 BRD4 (0.34) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL916278 0.85 SLC6A4 (0.36) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL917442 0.84 BRD4 (0.35) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL914973 0.84 KDM4E (0.36) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL917652 0.84 BRD4 (0.34) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL917639 0.84 MAPT (0.40) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL917635 0.83 RECQL (0.40) BRD4ALDH1A1POLBMAPTLMNA

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 4 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

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 BRD4 867/4885ALDH1A1 420/4885POLB 4152/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 BRD4 688/4885ALDH1A1 2340/4885POLB 3139/4885

“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.