SCHEMBL916862

SCHEMBL916862

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A4 P31645 2/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL917635 0.94 RECQL (0.40) BRD4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL917639 0.93 MAPT (0.40) BRD4MEN1KMT2AL3MBTL1SLC6A4
SCHEMBL917442 0.92 BRD4 (0.35) BRD4MEN1KMT2AL3MBTL1MAPK1
SCHEMBL917572 0.91 MEN1 (0.39) BRD4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL914973 0.91 KDM4E (0.36) BRD4MEN1KMT2AL3MBTL1MAPK1
SCHEMBL916278 0.89 SLC6A4 (0.36) BRD4L3MBTL1SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL916662 0.88 ALDH1A1 (0.36) BRD4MEN1KMT2AL3MBTL1MAPK1
SCHEMBL918074 0.87 BRD4 (0.34) BRD4L3MBTL1SLC6A4ALDH1A1MAPT
SCHEMBL917652 0.86 BRD4 (0.34) BRD4MEN1KMT2AL3MBTL1SLC6A4
SCHEMBL916739 0.86 BRD4 (0.34) BRD4MEN1KMT2AL3MBTL1SLC6A4

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 BRD4 867/4885MEN1 326/4885KMT2A 1595/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 BRD4 688/4885MEN1 2248/4885KMT2A 3473/4885

“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.