SCHEMBL72366

SCHEMBL72366

Nc1nc2ccc(F)cc2c2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
HTR3A P46098 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
ACHE P22303 10/20 0.43
BCHE P06276 9/20 0.43
GRIN1 Q05586 9/20 0.43
GRIN2A Q12879 9/20 0.43
DHODH Q02127 2/20 0.43
NR4A2 P43354 1/20 0.40
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL9971755 0.83 ACHE (0.46) ACHEBCHEGRIN1GRIN2ADHODH
SCHEMBL72673 0.80 KDM4E (0.47) ADORA3ADORA2AACHEBCHEGRIN1
SCHEMBL71734 0.78 CLK1 (0.51) ADORA3ADORA2AHTR3AHRH4ACHE
SCHEMBL13737248 0.77 DHODH (0.44) ACHEBCHEGRIN1GRIN2ADHODH
SCHEMBL29663483 0.76 HTT (0.64) ACHEBCHEGRIN1GRIN2ADHODH
SCHEMBL8900878 0.76 HTT (0.64) ACHEBCHEGRIN1GRIN2ADHODH
SCHEMBL29441517 0.72 HTT (0.68) ADORA3ADORA2AHTR3AHRH4ACHE
SCHEMBL3335843 0.72 HSP90AB1 (0.57) HTR3AHRH4HSP90AB1
SCHEMBL21500731 0.72 HTT (0.68) ADORA3ADORA2AHTR3AHRH4ACHE
SCHEMBL27223540 0.72 DCPS (0.53)

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-20120122916-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-17 US disclosed
US-8129402-B2 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-06 US disclosed
US-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-04-21 US disclosed
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
EP-1551992-B1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NAT RECH SCIENT (FR) 2006-12-27 EP disclosed
US-20060172337-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-08-03 US disclosed
EP-1551992-A2 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-07-13 EP disclosed
WO-2004035813-A2 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-04-29 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 (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-20120122916-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES PRPF6, PRNP, TDP1 ADORA3 985/4885ADORA2A 1964/4885HTR3A 4038/4885
US-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES ATXN2L, ATXN10, CLN6 ADORA3 1609/4885ADORA2A 2529/4885HTR3A 3680/4885
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules ATXN2L, ATXN10, CLN6 ADORA3 1609/4885ADORA2A 2529/4885HTR3A 3680/4885

“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.