SCHEMBL3217256

SCHEMBL3217256

Fc1ccc(/N=C/c2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.57
PTGS2 P35354 2/20 0.57
CA1 P00915 2/20 0.57
CA9 Q16790 2/20 0.57
CA12 O43570 1/20 0.57
PTGS1 P23219 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL3217263 1.00 CA2 (0.57) CA2PTGS2CA1CA9CA12
SCHEMBL5206541 1.00 CA2 (0.57) CA2PTGS2CA1CA9CA12
SCHEMBL28589318 0.89 ALDH1A1 (0.54) CA2PTGS2CA1CA9SMN1; SMN2
SCHEMBL2454215 0.89 ALDH1A1 (0.54) CA2PTGS2CA1CA9SMN1; SMN2
SCHEMBL12416606 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12
SCHEMBL2454217 0.89 ALDH1A1 (0.54) CA2PTGS2CA1CA9SMN1; SMN2
SCHEMBL2455348 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12
SCHEMBL2455350 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12
SCHEMBL20186948 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12
SCHEMBL12416601 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902157-B2 Spirocyclic azetidin(one); e.g. 2,7-diazaspiro[3.5]nonan-1-one; T-type calcium channel blockers; Niemann-Pick C1-like (NPC1L1) antagonists SCHERING CORPORATION (US) 2011-03-08 US disclosed
US-7902157-B2 Spirocyclic azetidin(one); e.g. 2,7-diazaspiro[3.5]nonan-1-one; T-type calcium channel blockers; Niemann-Pick C1-like (NPC1L1) antagonists SCHERING CORPORATION (US) 2011-03-08 US disclosed
US-20100160282-A1 NOVEL DIPHENYLAZETIDINONES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-24 US disclosed
US-7674773-B2 Diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-03-09 US disclosed
US-7576200-B2 Diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-18 US disclosed
US-7488829-B2 Diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-02-10 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
US-20080281092-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use AVENTIS PHARMA DEUTSCHLAND GMBH 2008-11-13 US disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20070208179-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use AVENTIS PHARMA DEUTSCHLAND GMBH 2007-09-06 US disclosed
US-6992067-B2 Diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-01-31 US disclosed
US-20050267038-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use AVENTIS PHARMA DEUTSCHLAND GMBH 2005-12-01 US disclosed
EP-1345895-A1 NOVEL 1,2-DIPHENZYLAZETIDINONES, METHOD FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND THE USE THEREOF FOR TREATING DISORDERS OF THE LIPID METABOLISM Aventis Pharma Deutschland GmbH (DE) 2003-09-24 EP disclosed
US-20020137689-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-26 US disclosed
WO-2002050027-A1 NOVEL 1,2-DIPHENZYLAZETIDINONES, METHOD FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND THE USE THEREOF FOR TREATING DISORDERS OF THE LIPID METABOLISM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-27 WO disclosed
US-5688785-A ANTICHOLESTEROL AGENTS BY INHIBITION OF SYNTHESIS SCHERING CORPORATION (US) 1997-11-18 US disclosed
EP-0766667-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1997-04-09 EP disclosed
WO-1995035277-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1995-12-28 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 (7 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-20080281092-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB6, NDUFB7 CA2 4428/4885PTGS2 1626/4885CA1 4873/4885
US-20020137689-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB7, NDUFB6 CA2 4405/4885PTGS2 1532/4885CA1 4868/4885
US-20050267038-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB6, NDUFB7 CA2 4428/4885PTGS2 1626/4885CA1 4873/4885
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM CYP46A1, OPRD1, OPRK1 CA2 3036/4885PTGS2 702/4885CA1 4521/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 CA2 4388/4885PTGS2 1231/4885CA1 4877/4885
US-20100160282-A1 NOVEL DIPHENYLAZETIDINONES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS AND THEIR USE QDPR, NDUFB6, NDUFB7 CA2 4428/4885PTGS2 1626/4885CA1 4873/4885
US-20070208179-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB6, NDUFB7 CA2 4428/4885PTGS2 1626/4885CA1 4873/4885

“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.