SCHEMBL5860179

SCHEMBL5860179

O=C(O)C(c1ccccc1)c1nc([N+](=O)[O-])c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
ELANE P08246 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL5511534 0.83 ALDH1A1 (0.40) MEN1KMT2ACNR1CNR2MAPT
SCHEMBL5860590 0.82 KDM4E (0.39) KMT2AMAPTALDH1A1KDM4ECYP2D6
SCHEMBL9146625 0.79 MEN1 (0.33) MEN1KMT2ACNR1CNR2HTT
SCHEMBL5861779 0.78 GAA (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5861592 0.77 AGTR2 (0.43) ALDH1A1
SCHEMBL8372779 0.75 SRC (0.42) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL7004971 0.75 ELANE (0.38) ALDH1A1ELANETDP1CYP2D6CYP1A2
SCHEMBL5860157 0.71 GAA (0.37) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9775971 0.70 ALDH1A1 (0.33) MEN1KMT2AALDH1A1KDM4E
SCHEMBL8741462 0.69 PTGS2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992097-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-01-31 US disclosed
US-20050143318-A1 Growth hormone secretagogues DODGE JEFFREY A (US) 2005-06-30 US disclosed
US-6828331-B1 Non-peptidyl in nature and are, therefore, more metabolically stable than growth hormone, growth hormone releasing hormone, or analogs of either of these proteins ELI LILLY AND COMPANY 2004-12-07 US disclosed
US-20040122234-A1 Growth Hormone secretagogues HAUSER KENNETH LEE (US) 2004-06-24 US disclosed
US-6639076-B1 Such as 2-(2-amino-2-methylpropanoylamino)-n-(1-(2-oxo-1-phenyl-2-pyrrolidinylethyl -4-yl)-4-phenylbutanamide ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1112071-A4 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6329342-B1 CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2001-12-11 US disclosed
EP-1153034-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 EP disclosed
WO-2000049037-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-08-24 WO disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 WO disclosed
EP-0933365-A2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
EP-0898963-A2 Congestive heart failure treatment ELI LILLY AND COMPANY (US) 1999-03-03 EP disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 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-20050143318-A1 Growth hormone secretagogues GHSR, GHRHR, SSTR3 MEN1 642/4885KMT2A 2280/4885CNR1 106/4885
US-20040122234-A1 Growth Hormone secretagogues GHSR, GHRHR, CRH MEN1 119/4885KMT2A 3972/4885CNR1 1812/4885

“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.