SCHEMBL4466830

SCHEMBL4466830

N#Cc1ccc(N=N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
CYP1B1 Q16678 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
MMP3 P08254 1/20 0.41
ENPP2 Q13822 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1054373 0.78 NOS3 (0.54) NOS3NOS1CYP1B1ALDH1A1CYP2A6
SCHEMBL30540402 0.78 CYP1B1 (0.61) NOS3NOS1CYP1B1ALDH1A1CYP2A6
SCHEMBL28660260 0.78 CYP1B1 (0.61) NOS3NOS1CYP1B1ALDH1A1CYP2A6
SCHEMBL17780632 0.77 NOS3 (0.31) NOS3NOS1
Water SCHEMBL28254092 0.76 CA2 (0.69) NOS3NOS1ALDH1A1CYP2A6CA2
SCHEMBL45942 0.76 CA2 (0.69) NOS3NOS1ALDH1A1CYP2A6CA2
SCHEMBL1304188 0.76 POLB (0.32) MAPT
Water SCHEMBL28189314 0.76 CA2 (0.69) NOS3NOS1ALDH1A1CYP2A6CA2
SCHEMBL2503454 0.76 CA2 (0.69) NOS3NOS1ALDH1A1CYP2A6CA2
SCHEMBL3518507 0.74 NOS3 (0.56) NOS3NOS1CYP1B1ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP claimed
EP-0370332-A1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1990-05-30 EP claimed
CN-108587959-B Phyllostachys pubescens endogenous phosphorus-dissolving potassium-dissolving nitrogen-fixing enterobacter aerogenes and application thereof 福建农林大学 2020-01-10 CN disclosed
CN-108504608-B Endophytic acinetobacter calcoaceticus capable of dissolving phosphorus, potassium and nitrogen and application thereof 福建农林大学 2020-01-10 CN disclosed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
WO-2016114346-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC株式会社 2016-07-21 WO disclosed
US-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS Universite de Bordeaux (FR) 2015-07-09 US disclosed
EP-2684887-B1 New process for preparing arylboranes by arylation of organoboron compounds UNIV BORDEAUX (FR) 2015-06-17 EP disclosed
WO-2014009169-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS UNIVERSITE DE BORDEAUX 1 (FR) 2014-01-16 WO disclosed
EP-2684887-A1 New process for preparing arylboranes by arylation of organoboron compounds UNIVERSITE DE BORDEAUX I (FR) 2014-01-15 EP disclosed
WO-2011036565-A2 DEVICE FOR DETECTING GASES AND/OR VOLATILE ORGANIC COMPOUNDS (VOC) COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-31 WO disclosed
US-20090234145-A1 METHOD AND CATALYSTS FOR THE EPOXIDATION OF OLEFINIC COMPOUNDS IN THE PRESENCE OF OXYGEN UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2009-09-17 US disclosed
US-20080234510-A1 Method of Obtaining Polyoxygenated Organic Compounds UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2008-09-25 US disclosed
CN-101184740-A Method and catalysts for the epoxidation of olefinic compounds in the presence of oxygen CONSEJO SUPERIOR INVESTIGACION (ES) 2008-05-21 CN disclosed
EP-1876176-A1 METHOD AND CATALYSTS FOR THE EPOXIDATION OF OLEFINIC COMPOUNDS IN THE PRESENCE OF OXYGEN CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2008-01-09 EP disclosed
EP-1767515-A1 METHOD OF OBTAINING POLYOXYGENATED ORGANIC COMPOUNDS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-03-28 EP disclosed
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP disclosed
EP-0370332-A1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1990-05-30 EP 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-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS NISCH, BRD7, BRSK2 NOS3 4151/4885NOS1 3941/4885CYP1B1 25/4885

“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.