SCHEMBL4639178

SCHEMBL4639178

Cc1c([N+](=O)[O-])cc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.66
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
CCR6 P51684 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTOR P42345 1/20 0.42
PLK1 P53350 1/20 0.42
KAT2B Q92831 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 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
SCHEMBL30601698 0.87 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4615740 0.87 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1344002 0.87 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18299784 0.80 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22636866 0.80 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28063755 0.80 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1736238 0.80 GPR35 (0.59) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1509524 0.80 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2085253 0.79 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8409766 0.79 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
EP-1953146-B1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL) AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2014-04-30 EP disclosed
EP-1594862-B1 METHODS OF MAKING 6-[ (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-] -7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2008-11-19 EP disclosed
EP-1594862-B1 METHODS OF MAKING 6-[ (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-] -7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2008-11-19 EP disclosed
EP-1953146-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl) amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form The Board of Regents of the University of Nebraska (US) 2008-08-06 EP disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed
US-7268255-B2 Process for the preparation of N-substituted formamides LONZA AG (CH) 2007-09-11 US disclosed
US-20070037985-A1 Hydrogenating a corresponding nitroarene or nitroheteroarene with formic acid and/or ammonium formate as hydrogen donor and formylating agent in the presence of at least one noble metal-based hydrogenation catalyst and a vanadium or molybdenum compound as co-catalyst KAMPFEN ULRICH 2007-02-15 US disclosed
US-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2004-08-26 US disclosed
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
EP-0734261-B1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2001-06-27 EP disclosed
US-5916900-A TREATMENT OF NASAL CONGESTION, ASTHMA, COUGH, CARDIOVASCULAR DISORDERS, OCULAR DISORDERS, GASTROINTESTINAL DISORDERS, MIGRAINES, SUSBSTANCE ABUSE THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
US-5716966-A RESPIRATORY SYSTEM DISORDERS; VISION DEFECTS; GASTROINTESTINAL DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
US-5576437-A 7-(2-imidazolnylamino) quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-19 US disclosed
EP-0734261-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-02 EP disclosed
WO-1995020386-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-08-03 WO disclosed
US-4126617-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 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 (2 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-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN VCAM1 2036/4885GRIN2D 83/4885GRIN3B 224/4885
US-20070037985-A1 Hydrogenating a corresponding nitroarene or nitroheteroarene with formic acid and/or ammonium formate as hydrogen donor and formylating agent in the presence of at least one noble metal-based hydrogenation catalyst and a vanadium or molybdenum compound as co-catalyst FH, NIT2, NCF1 VCAM1 2528/4885GRIN2D 786/4885GRIN3B 1142/4885

“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.