SCHEMBL20004726

SCHEMBL20004726

CN(C)c1ccc(C#Cc2cc3cc(B4OC(C)(C)C(C)(C)O4)cnc3[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 0.62
MAPT P10636 7/20 0.57
APP P05067 4/20 0.34
ALPL P05186 1/20 0.34
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
ADK P55263 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
SCHEMBL20004655 0.79 SNCA (0.65) SNCAMAPTAPPGSK3AGSK3B
SCHEMBL22518405 0.79 SNCA (0.62) SNCAMAPTAPPADK
SCHEMBL22537877 0.78 SNCA (0.75) SNCAMAPTAPPGSK3AGSK3B
SCHEMBL20004518 0.77 SNCA (1.00) SNCAMAPTAPP
SCHEMBL22518406 0.75 SNCA (0.57) SNCAMAPTAPP
SCHEMBL21115232 0.74 SNCA (0.93) SNCAMAPTAPPGSK3AGSK3B
SCHEMBL20004389 0.73 SNCA (1.00) SNCAMAPTAPPGSK3AGSK3B
SCHEMBL20005112 0.72 SNCA (0.87) SNCAMAPTAPP
SCHEMBL2969113 0.71 BRD4 (0.43) ALPLGSK3AGSK3BPDGFRBKDR
SCHEMBL20004656 0.71 SNCA (0.39) SNCAMAPTADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed
US-20160010061-A1 METHODS OF PRESERVING AND PROTECTING PANCREATIC BETA CELLS AND TREATING OR PREVENTING DIABETES BY INHIBITING NOX-1 EASTERN VIRGINIA MEDICAL SCHOOL 2016-01-14 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 (3 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT SNCA 4/4885MAPT 3/4885APP 15/4885
US-20160010061-A1 METHODS OF PRESERVING AND PROTECTING PANCREATIC BETA CELLS AND TREATING OR PREVENTING DIABETES BY INHIBITING NOX-1 NOX1, NOX3, NOX4 SNCA 2640/4885MAPT 4279/4885APP 1406/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT SNCA 2/4885MAPT 3/4885APP 16/4885

“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.