SCHEMBL4907472

SCHEMBL4907472

CC(=C(C#N)C#N)c1ccc2cc(N(C)CCOS(=O)(=O)c3ccc(C)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.59
MAPT P10636 2/20 0.59
SNCA P37840 1/20 0.59
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ENPP2 Q13822 1/20 0.34
STAT3 P40763 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PPARG P37231 2/20 0.32
ALOX12 P18054 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PSMD10 O75832 1/20 0.31
MMP2 P08253 1/20 0.30

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
SCHEMBL13020459 0.89 APP (0.45) APPMAPTSNCACA12CA1
SCHEMBL14290169 0.86 APP (0.66) APPMAPTSNCAPPARG
SCHEMBL12522849 0.84 APP (0.49) APPMAPTSNCA
SCHEMBL5142551 0.81 MEN1 (0.41) APPMAPTSNCACA12CA1
SCHEMBL900444 0.79 APP (0.37) APPMAPTSNCACA12CA1
SCHEMBL4977529 0.78 ENPP2 (0.40) APPMAPTSNCACA12CA1
SCHEMBL17254447 0.77 APP (0.69) APPMAPTSNCAPPARG
SCHEMBL20140463 0.77 APP (0.59) APPMAPTSNCA
SCHEMBL17254450 0.76 APP (0.78) APPMAPTSNCAPPARG
SCHEMBL951329 0.76 APP (0.79) APPMAPTSNCAL3MBTL1

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
JP-2008522795-A 2008-07-03 JP claimed
EP-1838431-A2 MICROFLUIDIC DEVICES WITH CHEMICAL REACTION CIRCUITS California Institute of Technology (US) 2007-10-03 EP claimed
WO-2006071470-A2 MICROFLUIDIC DEVICES WITH CHEMICAL REACTION CIRCUITS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-06 WO claimed
EP-3538161-A1 METHODS FOR MULTI-DOSE SYNTHESIS OF [F-18]FDDNP FOR CLINICAL SETTINGS The Regents of The University of California (US) 2019-09-18 EP disclosed
WO-2018089491-A1 METHODS FOR MULTI-DOSE SYNTHESIS OF [F-18]FDDNP FOR CLINICAL SETTINGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-17 WO disclosed
US-20140039074-A1 METHOD FOR RAPID PREPARATION OF SUITABLE [18F]FLUORIDE FOR NUCLEOPHILIC [18F]FLUORINATION PIRAMAL IMAGING SA (CH) 2014-02-06 US disclosed
US-8206593-B2 Adapted for on-chip solvent exchange; synthesis of radiopharmaceuticals such as FDG (fludeoxyglucose F18) for example FLUIDIGM CORPORATION (US) 2012-06-26 US disclosed
US-7847092-B2 Method for preparation of F-18 containing organofluoro compounds in alcohol solvents FUTURECHEM CO., LTD. (KR) 2010-12-07 US disclosed
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO., LTD. (KR) 2010-05-06 US disclosed
US-20080281090-A1 Microfluidic Chemical Reaction Circuits CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-11-13 US disclosed
US-7341709-B2 Compositions for labeling β-amyloid plaques and neurofibrillary tangles REGENTS OF UNIVERSITY OF CALIFORNIA (US) 2008-03-11 US disclosed
US-20040258615-A1 System and method for synthesis of molecular imaging probes including FDG MOLECULAR TECHNOLOGIES, INC. 2004-12-23 US disclosed
WO-2004093652-A2 SYSTEM AND METHOD FOR SYNTHESIS OF MOLECULAR IMAGING PROBES INCLUDING FDG MOLECULAR TECHNOLOGIES, INC. (US) 2004-11-04 WO disclosed
US-20040072371-A1 Compositions for labeling beta-amyloid plaques and neurofibrillary tangles REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-04-15 US disclosed
US-6660530-B2 Diagnosis of Alzheimer's disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-12-09 US disclosed
EP-1105163-A4 METHODS FOR LABELING BETA-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES UNIV CALIFORNIA (US) 2003-05-02 EP disclosed
US-20020022002-A1 Methods for labeling beta-amyloid plaques and neurofibrillary tangles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-21 US disclosed
US-6274119-B1 LABELING .BETA.-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES IN VIVO AND IN VITRO, COMPRISES CONTACTING RADIOLABELED AMINONAPTHALENE DERIVATIVE WITH MAMMALIAN TISSUE THE REGENTS OF THE UNIV. OF CALIFORNIA 2001-08-14 US disclosed
EP-1105163-A1 METHODS FOR LABELING BETA-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-06-13 EP disclosed
WO-2000010614-A1 METHODS FOR LABELING β-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-03-02 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 (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-20020022002-A1 Methods for labeling beta-amyloid plaques and neurofibrillary tangles OXSR1, MSR1, CBR1 APP 11/4885MAPT 383/4885SNCA 98/4885
US-20140039074-A1 METHOD FOR RAPID PREPARATION OF SUITABLE [18F]FLUORIDE FOR NUCLEOPHILIC [18F]FLUORINATION FASTKD5, NAF1, AFF4 APP 2528/4885MAPT 3771/4885SNCA 1754/4885
US-20040072371-A1 Compositions for labeling beta-amyloid plaques and neurofibrillary tangles CBR1, CBR3, MSR1 APP 5/4885MAPT 253/4885SNCA 93/4885
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS AFF1, AFF4, PFAS APP 2771/4885MAPT 3217/4885SNCA 2227/4885

“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.