SCHEMBL205479

SCHEMBL205479

CC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.64
NPC1 O15118 1/20 0.47
CYP1A2 P05177 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
SLC6A2 P23975 1/20 0.40
CYP19A1 P11511 1/20 0.39
KMO O15229 1/20 0.39
CREBBP Q92793 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL19145194 0.88 GLS (0.65) GLSNPC1CYP1A2KMT2ARAB9A
SCHEMBL655729 0.86 GLS (0.60) GLSNPC1CYP1A2GAAKMT2A
SCHEMBL5347812 0.83 GLS (0.70) GLSNPC1CYP1A2KMT2ARAB9A
SCHEMBL10982770 0.83 GLS (0.70) GLSNPC1CYP1A2MAPTSLC6A2
SCHEMBL2933655 0.81 GLS (0.75) GLSNPC1CYP1A2KMT2AMAPT
SCHEMBL16931094 0.80 GLS (0.62) GLSNPC1CYP1A2KMT2ARAB9A
SCHEMBL31304655 0.80 GLS (0.65) GLSNPC1CYP1A2KMT2AMAPT
SCHEMBL17060346 0.80 GLS (0.65) GLSNPC1CYP1A2KMT2AMAPT
SCHEMBL2205790 0.79 CHEK1 (0.60) GLSCYP1A2GAAKMT2ARAB9A
SCHEMBL13215774 0.79 KMO (0.50) NPC1KMT2ARAB9AMAPTKMO

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 EP disclosed
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
EP-3428148-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2019-01-16 EP disclosed
EP-3050874-B1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL INC (US) 2019-01-09 EP disclosed
EP-3088384-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2018-12-12 EP disclosed
WO-2010056999-A9 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2018-06-07 WO disclosed
EP-3088384-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2016-11-02 EP disclosed
EP-2155699-B9 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2016-09-14 EP disclosed
EP-3050874-A1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial, Inc. (US) 2016-08-03 EP disclosed
EP-2639228-B1 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL INC (US) 2016-07-13 EP disclosed
US-8088801-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-01-03 US disclosed
EP-2364301-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial Limited (US) 2011-09-14 EP disclosed
WO-2010056999-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2010-05-20 WO disclosed
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2010-05-20 US disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
US-7250436-B2 Indazole-aminoacetonitrile derivatives having special pesticidal activity NOVARTIS ANIMAL HEALTH US, INC. (US) 2007-07-31 US disclosed
EP-1534684-B1 INDAZOLE-AMINOACETONITRILE DERIVATIVES HAVING SPECIAL PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060025466-A1 Indazole-aminoacetonitrile derivatives having special pesticidal activity NOVARTIS ANIMAL HEALTH US, INC. 2006-02-02 US disclosed
EP-1534684-A1 INDAZOLE-AMINOACETONITRILE DERIVATIVES HAVING SPECIAL PESTICIDAL ACTIVITY Novartis AG (CH) 2005-06-01 EP disclosed
WO-2003104202-A1 INDAZOLE-AMINOACETONITRILE DERIVATIVES HAVING SPECIAL PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2003-12-18 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 (3 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-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR GLS 530/4885NPC1 3341/4885CYP1A2 23/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 GLS 1630/4885NPC1 3902/4885CYP1A2 13/4885
US-20060025466-A1 Indazole-aminoacetonitrile derivatives having special pesticidal activity ACHE, ADORA1, IDO1 GLS 2467/4885NPC1 4643/4885CYP1A2 30/4885

“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.