SCHEMBL916116

SCHEMBL916116

CC(C)(C)OC(=O)Nc1ccc2ccn(Cc3ccccn3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.48
BRD4 O60885 2/20 0.46
CNR1 P21554 6/20 0.46
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB4 Q15303 1/20 0.43
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
SREBF2 Q12772 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
NR1I3 Q14994 1/20 0.39
CYP17A1 P05093 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL27670221 0.82 BRD4 (0.48) BRD4CNR1EPHX2NR1H4EGFR
SCHEMBL916112 0.81 NAMPT (0.48) ACSS2CNR1EPHX2NR1H4EGFR
SCHEMBL709959 0.78 CNR1 (0.50) ACSS2CNR1EPHX2NR1H4
SCHEMBL916182 0.76 ACSS2 (0.38) ACSS2SREBF2NPC1RAB9ASMN1; SMN2
SCHEMBL710073 0.76 KDM4E (0.54) ACSS2BRD4EGFRERBB2ERBB4
SCHEMBL916255 0.76 SLC22A12 (0.45) ACSS2SREBF2NPC1RAB9ASMN1; SMN2
SCHEMBL916140 0.75 AURKA (0.40) ACSS2SREBF2NPC1RAB9AMAPT
SCHEMBL916230 0.75 IMPDH2 (0.40) ACSS2SREBF2MAPT
SCHEMBL916272 0.75 SLC22A12 (0.39) ACSS2SREBF2SMN1; SMN2MAPTLMNA
SCHEMBL6208377 0.75 EPHX2 (0.45) ACSS2CNR1EPHX2NR1H4CYP17A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1956954-B Novel androgens ORGANON NV 2011-05-04 CN disclosed
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
CN-1956954-A Novel androgens ORGANON NV (NL) 2007-05-02 CN 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 ACSS2 1358/4885BRD4 867/4885CNR1 386/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ACSS2 2125/4885BRD4 688/4885CNR1 50/4885

“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.