SCHEMBL916112

SCHEMBL916112

CC(C)(C)OC(=O)Nc1ccc2ccn(Cc3cccnc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
CNR1 P21554 2/20 0.45
ACSS2 Q9NR19 1/20 0.45
EGFR P00533 1/20 0.43
ERBB4 Q15303 1/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP17A1 P05093 1/20 0.43
ADA P00813 1/20 0.42
CYP3A4 P08684 1/20 0.42
PTK2 Q05397 1/20 0.41

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
SCHEMBL6208377 0.83 EPHX2 (0.45) EPHX2NR1H4CNR1ACSS2MAOB
SCHEMBL709959 0.81 CNR1 (0.50) EPHX2NR1H4CNR1ACSS2MAOB
SCHEMBL916116 0.81 ACSS2 (0.48) EPHX2NR1H4CNR1ACSS2EGFR
SCHEMBL9645173 0.74 ALOX5 (0.54) NAMPTLMNAMAPTMEN1ALDH1A1
SCHEMBL31444713 0.74 EPHX2 (0.44) EPHX2NR1H4CNR1ACSS2MAOB
SCHEMBL30313113 0.74 ACSS2 (0.42) EPHX2NR1H4CNR1ACSS2MAOB
SCHEMBL916416 0.74 GNRHR (0.39) NAMPTCNR1ACSS2LMNAMAPT
SCHEMBL20850992 0.74 ERBB4 (0.49) EGFRERBB4MAOBMAPTPTK2
Tert-Butyl Formate SCHEMBL27670318 0.73 HTR6 (0.41) EGFRERBB4LMNAALDH1A1CYP3A4
SCHEMBL1607764 0.73 HDAC6 (0.60)

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 NAMPT 3429/4885EPHX2 1844/4885NR1H4 68/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 NAMPT 4287/4885EPHX2 1720/4885NR1H4 57/4885

“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.