SCHEMBL917626

SCHEMBL917626

CC(C)(C)OC(=O)N(Nc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cccnc3)c2c1)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cccnc3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GNRHR P30968 1/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL914973 0.89 KDM4E (0.36) KDM4EGNRHRHTTCNR1CNR2
SCHEMBL917717 0.88 SMN1; SMN2 (0.32) ALDH1A1MAPTLMNANPSR1MEN1
SCHEMBL916385 0.87 ALDH1A1 (0.34) KDM4EGNRHRALDH1A1MAPTLMNA
SCHEMBL916416 0.86 GNRHR (0.39) KDM4EGNRHRHTTCNR1CNR2
SCHEMBL917044 0.83 HTT (0.38) KDM4EHTTCNR1CNR2PDE4A
SCHEMBL715228 0.82 ALDH1A1 (0.35) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL3253955 0.81 HTT (0.40) KDM4EGNRHRHTTCNR1CNR2
SCHEMBL916327 0.81 HTT (0.38) KDM4EHTTCNR1CNR2PDE4A
SCHEMBL3257249 0.80 ALDH1A1 (0.41) KDM4EHTTCNR1CNR2PDE4A
SCHEMBL916862 0.80 BRD4 (0.37) HTTCNR1CNR2ALDH1A1MAPT

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 3 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
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 KDM4E 1670/4885GNRHR 29/4885HTT 2123/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 KDM4E 1577/4885GNRHR 17/4885HTT 2974/4885

“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.