SCHEMBL20004279

SCHEMBL20004279

Nc1ccc(C#Cc2cc3cccnc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SNCA P37840 9/20 0.68
MAPT P10636 8/20 0.68
RIPK1 Q13546 6/20 0.57
APP P05067 1/20 0.42
DAO P14920 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RET P07949 1/20 0.38

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
SCHEMBL20004547 0.85 MAPT (0.58) SNCAMAPTRIPK1DAOKDM4E
SCHEMBL20005072 0.85 SNCA (0.68) SNCAMAPTRIPK1DAO
SCHEMBL20005138 0.85 SNCA (0.72) SNCAMAPTRIPK1DAOALDH1A1
SCHEMBL20005009 0.84 SNCA (0.64) SNCAMAPTRIPK1DAO
SCHEMBL21147053 0.82 SNCA (0.69) SNCAMAPTRIPK1APPDAO
SCHEMBL20004389 0.81 SNCA (1.00) SNCAMAPTRIPK1APPDAO
SCHEMBL20004519 0.81 SNCA (0.67) SNCAMAPTRIPK1APPKDM4E
SCHEMBL342758 0.79 MAPT (0.60) SNCAMAPTRIPK1DAO
SCHEMBL20005052 0.78 SNCA (0.64) SNCAMAPTRIPK1APP
SCHEMBL22930176 0.77 SNCA (0.77) SNCAMAPTRIPK1DAO

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 7 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

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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT SNCA 4/4885MAPT 3/4885RIPK1 3312/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT SNCA 2/4885MAPT 3/4885RIPK1 3202/4885

“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.