SCHEMBL915401

SCHEMBL915401

CC(C)(C)OC(=O)Nc1ccc2c(Sc3ccccc3Br)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CDK9 P50750 1/20 0.34
RORC P51449 7/20 0.34
P2RX3 P56373 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MET P08581 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
DRD2 P14416 1/20 0.33
NR1I3 Q14994 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL916474 0.88 IMPDH2 (0.40) ACSS2RORCKMT2AMEN1POLB
SCHEMBL710566 0.87 ABCC9 (0.37) ACSS2RORCKMT2AMEN1ALDH1A1
SCHEMBL916182 0.84 ACSS2 (0.38) ACSS2CA12CA1CA9RORC
SCHEMBL916638 0.82 BRD4 (0.39) HDAC10HDAC6MAPK1KMT2AMEN1
SCHEMBL916201 0.77 KDM4E (0.36) MAPK1P2RX3KMT2AMEN1POLB
SCHEMBL916309 0.77 P2RX3 (0.34) MAPK1P2RX3KMT2AMEN1POLB
SCHEMBL13356745 0.75 NPY5R (0.39) MAPK1KMT2AMEN1POLBALDH1A1
SCHEMBL13356738 0.75 MAPT (0.39) MAPK1KMT2AMEN1POLBALDH1A1
SCHEMBL916292 0.74 P2RX3 (0.38) MAPK1P2RX3KMT2AMEN1POLB
SCHEMBL13356737 0.74 MAPK1 (0.39) MAPK1KMT2AMEN1POLBALDH1A1

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 HDAC10 322/4885HDAC6 247/4885ACSS2 1358/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 HDAC10 717/4885HDAC6 1016/4885ACSS2 2125/4885

“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.