SCHEMBL916201

SCHEMBL916201

CC(C)(C)OC(=O)CNc1ccc2c(Sc3ccccc3C(=O)O)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
TOP1 P11387 3/20 0.34
P2RX3 P56373 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 2/20 0.34
SERPINE1 P05121 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HRH2 P25021 1/20 0.31
S1PR3 Q99500 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
SCHEMBL916309 0.93 P2RX3 (0.34) CTNNB1TCF7L2P2RX3KMT2AALDH1A1
SCHEMBL916200 0.81 BRD4 (0.36) TOP1KMT2AALDH1A1MAPK1SERPINE1
SCHEMBL709821 0.79 CHRM1 (0.46) KDM4EALDH1A1
SCHEMBL916289 0.78 SLC6A2 (0.36) KDM4EKMT2AALDH1A1MAPK1MEN1
SCHEMBL916292 0.77 P2RX3 (0.38) P2RX3KMT2AALDH1A1MAPK1SERPINE1
SCHEMBL915401 0.77 HDAC10 (0.37) P2RX3KMT2AALDH1A1MAPK1MEN1
SCHEMBL916153 0.77 POLB (0.43) KDM4EP2RX3KMT2AALDH1A1MAPK1
SCHEMBL916474 0.76 IMPDH2 (0.40) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL710566 0.75 ABCC9 (0.37) KMT2AALDH1A1MEN1
SCHEMBL916311 0.75 BRD4 (0.35) KMT2AALDH1A1MAPK1SERPINE1MEN1

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 KDM4E 1670/4885CTNNB1 649/4885TCF7L2 341/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 KDM4E 1577/4885CTNNB1 1472/4885TCF7L2 1086/4885

“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.