SCHEMBL916200

SCHEMBL916200

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3C(=O)O)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
SERPINE1 P05121 2/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PAX8 Q06710 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TOP1 P11387 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH2 P25021 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL915944 0.93 POLB (0.37) BRD4SERPINE1KMT2APOLBMEN1
SCHEMBL917748 0.93 KMT2A (0.36) BRD4SERPINE1KMT2APOLBMEN1
SCHEMBL916311 0.92 BRD4 (0.35) BRD4SERPINE1KMT2APOLBMEN1
SCHEMBL916638 0.89 BRD4 (0.39) BRD4SERPINE1KMT2APOLBMEN1
SCHEMBL916730 0.89 BRD4 (0.39) BRD4SERPINE1KMT2APOLBMEN1
SCHEMBL916614 0.88 GAA (0.36) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL917442 0.86 BRD4 (0.35) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL917282 0.84 BRD4 (0.36) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL916201 0.81 KDM4E (0.36) SERPINE1KMT2APOLBMEN1MAPK1
SCHEMBL709821 0.80 CHRM1 (0.46) ALDH1A1

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 867/4885SERPINE1 820/4885KMT2A 1595/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 BRD4 688/4885SERPINE1 3338/4885KMT2A 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.