SCHEMBL917442

SCHEMBL917442

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PAX8 Q06710 1/20 0.31
SLC2A1 P11166 1/20 0.30
PDE7A Q13946 1/20 0.30
HTT P42858 1/20 0.30
ITGB2 P05107 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
SCHEMBL716247 0.93 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL916862 0.92 BRD4 (0.37) BRD4SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL916278 0.90 SLC6A4 (0.36) BRD4SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL916224 0.89 L3MBTL1 (0.34) BRD4ALDH1A1MAPTL3MBTL1GAA
SCHEMBL917572 0.88 MEN1 (0.39) BRD4ALDH1A1POLBMAPTLMNA
SCHEMBL917639 0.88 MAPT (0.40) BRD4SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL917717 0.88 SMN1; SMN2 (0.32) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL917635 0.88 RECQL (0.40) BRD4ALDH1A1POLBMAPTLMNA
SCHEMBL916638 0.87 BRD4 (0.39) BRD4SLC6A4ALDH1A1POLBMAPT
SCHEMBL916730 0.87 BRD4 (0.39) BRD4SLC6A4SLC6A2ALDH1A1POLB

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 867/4885SLC6A4 374/4885SLC6A2 729/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 BRD4 688/4885SLC6A4 582/4885SLC6A2 1378/4885

“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.