SCHEMBL497668

SCHEMBL497668

CCCN([C]=O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31

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
SCHEMBL270273 0.85 CA12 (0.32) CA1
SCHEMBL270857 0.78
SCHEMBL1998310 0.77 MAPT (0.33)
SCHEMBL1994276 0.77 CA12 (0.31)
SCHEMBL2815709 0.74 MAPT (0.34)
SCHEMBL1994234 0.73
SCHEMBL8614369 0.72 CA12 (0.34) CA1
SCHEMBL1998352 0.70
SCHEMBL6153728 0.67
SCHEMBL271084 0.67 CYP1A2 (0.31) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-7960383-B2 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL SA (ES) 2011-06-14 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO disclosed
US-6613717-B1 Phosphoric benzoyl derivatives and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-09-02 US disclosed
EP-0804421-A1 USE OF 2- (DIHYDRO)PYRAZOLYL-3'-OXYMETHYLENE]-ANILIDES AS PEST-CONTROL AGENTS AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-11-05 EP disclosed
EP-0769010-A1 2-[1',2',4'-TRIAZOL-3'-YLOXYMETHYLENE]-ANILIDES AND THEIR USE AS PEST-CONTROL AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-23 EP disclosed
EP-0758322-A1 ALPHA-(PYRAZOL-3-YL)-OXYMETHYLENE-PHENYLBUTENIC ACID METHYL ESTERS AND THE USE THEREOF AGAINST HARMFUL FUNGI OR ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-02-19 EP disclosed
WO-1996001258-A1 2-[1',2',4'-TRIAZOL-3'-YLOXYMETHYLENE]-ANILIDES AND THEIR USE AS PEST-CONTROL AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-01-18 WO disclosed
WO-1996001256-A1 USE OF 2-[(DIHYDRO)PYRAZOLYL-3'-OXYMETHYLENE]-ANILIDES AS PEST-CONTROL AGENTS AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-01-18 WO disclosed
WO-1995029896-A1 ALPHA-(PYRAZOL-3-YL)-OXYMETHYLENE-PHENYLBUTENIC ACID METHYL ESTERS AND THE USE THEREOF AGAINST HARMFUL FUNGI OR ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1995-11-09 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 (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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CA1 1836/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B CA1 4497/4885

“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.