SCHEMBL5577003

SCHEMBL5577003

NC1=Nc2c(N)cccc2Sc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
PTPN5 P54829 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.32
DRD2 P14416 1/20 0.32
PTPRC P08575 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL88348 0.76 BACE1 (0.57) NPY5RBACE1KDM4EMAPTHTT
Hydrochloric Acid SCHEMBL1772740 0.74 BACE1 (0.56) NPY5RBACE1KDM4EMAPTHTT
SCHEMBL19537629 0.63 ALDH1A1 (0.48) NPY5RALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL17073678 0.63 ALDH1A1 (0.48) NPY5RALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL15089121 0.62 PTPN5 (0.47) NPY5RBACE1ALDH1A1L3MBTL1MAPT
SCHEMBL16363784 0.61 ADORA3 (0.52) NPY5RALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL15617266 0.61 ALDH1A1 (0.50) NPY5RALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11756278 0.58 ADORA3 (0.44) NPY5RALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL20708485 0.58
SCHEMBL3702993 0.58 ALDH1A1 (0.43) NPY5RALDH1A1L3MBTL1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS ) (FR) 2007-02-08 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 (1 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-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules ATXN2L, ATXN10, CLN6 NPY5R 4844/4885BACE1 2428/4885ALDH1A1 2586/4885

“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.