SCHEMBL1436714

SCHEMBL1436714

Nc1c(N=O)cnn1CCO

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36

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
Hydrochloric Acid SCHEMBL5277328 0.98 CYP1A2 (0.35) CYP1A2
Sulfuric Acid SCHEMBL5278578 0.94 CYP1A2 (0.33) CYP1A2
Sulfuric Acid SCHEMBL5278587 0.89 CYP1A2 (0.30) CYP1A2
Hydrochloric Acid SCHEMBL6760437 0.87
SCHEMBL15198091 0.82 POLB (0.41)
SCHEMBL5201045 0.78 MAOB (0.34)
SCHEMBL5498897 0.78 HTT (0.39)
SCHEMBL14384185 0.76 FSCN1 (0.31)
SCHEMBL33881 0.75 CYP1A2 (0.42) CYP1A2
SCHEMBL15190352 0.74

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-2628730-B1 TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS NOXELL CORP (US) 2017-12-06 EP disclosed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
US-8785656-B2 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salt THE PROCTER & GAMBLE COMPANY (US) 2014-07-22 US disclosed
US-20130217891-A1 Telescoping Synthesis of 5-Amino-4-Nitroso-1-Alkyl-1H-Pyrazole Salt THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US disclosed
WO-2013122989-A1 TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 WO disclosed
EP-2628730-A1 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salts The Procter and Gamble Company (US) 2013-08-21 EP disclosed
EP-1844109-B1 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS PROCTER & GAMBLE (US) 2011-03-30 EP disclosed
EP-1408025-B1 3,3-DIALKOXY-2-HYDROXYIMINOPROPIONITRILES, PROCESS FOR PREPARATION THEREOF AND PROCESS OF PREPARING 5-AMINO -4-NITROSOPYRAZOLES OR SALTS THEREOF BY THE USE OF THE SAME UBE INDUSTRIES (JP) 2007-11-21 EP disclosed
EP-1844109-A2 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2007-10-17 EP disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
WO-2006081246-A2 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed
US-20050096472-A1 Process for producing 3-unsubstituted 5-amino-4-nitrosopyrazole compound, and 2-hydroxyimino-3-oxopropionitrile, 3-hydrazono-2-hydroxyiminopropionitrile compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2005-05-05 US disclosed
EP-1475369-A1 PROCESS FOR PRODUCING 3-UNSUBSTITUTED 5-AMINO-4-NITROSOPYRAZOLE COMPOUND, AND 2-HYDROXYIMINO-3-OXOPROPIONITRILE, 3-HYDRAZONO-2-HYDROXYIMINOPROPIONITRILE COMPOUND, AND PROCESSES FOR PRODUCING THESE Ube Industries, Ltd. (JP) 2004-11-10 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
US-20040116732-A1 3,3-Dialkoxy-2-hydroxyiminopropionitriles, process for preparation thereof and process of preparing 5-amino-4-nitrosopyrazoles or salts thereof by the use of the same UBE INDUSTRIES, LTD. (JP) 2004-06-17 US disclosed
EP-1408025-A1 3,3-DIALKOXY-2-HYDROXYIMINOPROPIONITRILES, PROCESS FOR PREPARATION THEREOF AND PROCESS OF PREPARING 5-AMINO -4-NITROSOPYRAZOLES OR SALTS THEREOF BY THE USE OF THE SAME Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
EP-1342716-A2 Preparation of 4,5-diamino-1-(2'-hydroxyethyl)-pyradazole and acid addition salts thereof EASTMAN CHEMICAL COMPANY (US) 2003-09-10 EP disclosed
US-6452019-B1 SIMPLIFIED PROCESS THAT DOES NOT INVOLVE TOXIC SOLVENTS NOR MULTIPLE ISOLATIONS OF INTERMEDIATE PRODUCTS; CYCLIZATION OF ALKYL(ETHOXYMETHYLENE)CYANOACETATE AND 2-HYDROXY-ETHYL-HYDRAZINE; DECARBOXYLATING; NITROSATION TO AMINATE EASTMAN CHEMICAL COMPANY 2002-09-17 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 (4 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-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CYP1A2 443/4885
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 CYP1A2 276/4885
US-20130217891-A1 Telescoping Synthesis of 5-Amino-4-Nitroso-1-Alkyl-1H-Pyrazole Salt NOX5, PPOX, PAOX CYP1A2 837/4885
US-20050096472-A1 Process for producing 3-unsubstituted 5-amino-4-nitrosopyrazole compound, and 2-hydroxyimino-3-oxopropionitrile, 3-hydrazono-2-hydroxyiminopropionitrile compound, and processes for producing these CYP1A1, CYP2E1, NOS3 CYP1A2 10/4885

“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.