SCHEMBL3519191

SCHEMBL3519191

O=C(Nc1nn(C(=O)O)c2ccc([N+](=O)[O-])cc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.56
F2 P00734 2/20 0.56
PLAU P00749 2/20 0.56
CTRB1 P17538 2/20 0.56
KLKB1 P03952 1/20 0.56
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.47
MAPT P10636 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
HDAC2 Q92769 1/20 0.46
GAA P10253 1/20 0.45
WDR5 P61964 1/20 0.45
LMNA P02545 1/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL27819361 0.89 WDR5 (0.48) ELANEF2PLAUCTRB1KLKB1
SCHEMBL3516455 0.85 ELANE (0.54) ELANEF2PLAUCTRB1KLKB1
SCHEMBL5000069 0.82 ELANE (0.53) ELANEF2PLAUCTRB1KLKB1
SCHEMBL3515951 0.81 ELANE (0.46) ELANEABCG2MAPTADORA3HDAC2
SCHEMBL18108607 0.78 THRB (0.62) KMT2AMEN1NPC1MAPTGAA
SCHEMBL27978244 0.76 ELANE (0.51) ELANEF2PLAUCTRB1KLKB1
SCHEMBL4503163 0.76 ELANE (0.49) ELANEF2PLAUCTRB1KLKB1
SCHEMBL1456541 0.75 WDR5 (0.48) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2145033 0.75 ELANE (0.53) ELANEF2PLAUCTRB1KLKB1
SCHEMBL3643706 0.75 ELANE (0.50) 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 3 patents. 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
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 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 (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.