SCHEMBL3516455

SCHEMBL3516455

CC(C)(C)OC(=O)n1nc(NC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.54
F2 P00734 3/20 0.54
PLAU P00749 3/20 0.54
CTRB1 P17538 3/20 0.54
KLKB1 P03952 1/20 0.54
GAA P10253 1/20 0.44
WDR5 P61964 1/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
MAP2K4 P45985 1/20 0.42
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL1456541 0.90 WDR5 (0.48) ELANEF2PLAUCTRB1KLKB1
SCHEMBL15081314 0.87 ELANE (0.46) ELANEF2PLAUCTRB1KLKB1
SCHEMBL6597793 0.86 CDK2 (0.53) ELANEF2PLAUCTRB1KLKB1
SCHEMBL3519191 0.85 ELANE (0.56) ELANEF2PLAUCTRB1KLKB1
SCHEMBL4991927 0.84 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL3517026 0.84 MAP2K4 (0.46) ELANEMAPTNPC1POLBRAB9A
SCHEMBL4005625 0.81 L3MBTL1 (0.61) ELANEF2PLAUCTRB1KLKB1
SCHEMBL18108643 0.80 THRB (0.55) GAAKMT2AMAPTMEN1NPC1
SCHEMBL12194069 0.79 ELANE (0.56) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2144637 0.79 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.