SCHEMBL3516872

SCHEMBL3516872

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.43
F2 P00734 5/20 0.43
PLAU P00749 5/20 0.43
CTRB1 P17538 5/20 0.43
KLKB1 P03952 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAP2K4 P45985 1/20 0.39
CNR2 P34972 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL3514299 0.91 ELANE (0.46) ELANEF2PLAUCTRB1KLKB1
SCHEMBL30833809 0.91 ELANE (0.41) ELANEF2PLAUCTRB1KLKB1
SCHEMBL15081365 0.90 ELANE (0.43) ELANEF2PLAUCTRB1KLKB1
SCHEMBL15081358 0.89 ELANE (0.45) ELANEF2PLAUCTRB1KLKB1
SCHEMBL14173428 0.84 ELANE (0.41) ELANEF2PLAUCTRB1KLKB1
SCHEMBL30123629 0.83 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2144637 0.83 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29190579 0.83 ELANE (0.41) ELANEF2PLAUCTRB1KLKB1
SCHEMBL1457094 0.82 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2573606 0.82 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 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 (1 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 ELANE 914/4885F2 2208/4885PLAU 4515/4885

“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.