SCHEMBL916730

SCHEMBL916730

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccc3CO)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A4 P31645 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PAX8 Q06710 1/20 0.33
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.31
CREBBP Q92793 1/20 0.31
SERPINE1 P05121 1/20 0.31
SLC6A2 P23975 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
SCHEMBL917748 0.90 KMT2A (0.36) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL916638 0.90 BRD4 (0.39) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL916200 0.89 BRD4 (0.36) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL915944 0.89 POLB (0.37) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL916614 0.88 GAA (0.36) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL916311 0.88 BRD4 (0.35) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL917442 0.87 BRD4 (0.35) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL917282 0.85 BRD4 (0.36) BRD4KMT2APOLBMEN1MAPK1
SCHEMBL716247 0.79 SLC6A4 (0.33) KMT2APOLBMEN1MAPK1SLC6A4
SCHEMBL916224 0.79 L3MBTL1 (0.34) BRD4KMT2AMEN1ALDH1A1MAPT

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 867/4885KMT2A 1595/4885POLB 4152/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 BRD4 688/4885KMT2A 3473/4885POLB 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.