SCHEMBL295243

SCHEMBL295243

COc1ccc(N=Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.64
PTGS2 P35354 2/20 0.56
PTGS1 P23219 1/20 0.56
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
ACHE P22303 2/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL3181342 1.00 S100B (0.64) S100BPTGS2PTGS1CA12CA2
SCHEMBL2482983 1.00 S100B (0.64) S100BPTGS2PTGS1CA12CA2
SCHEMBL2482981 1.00 S100B (0.64) S100BPTGS2PTGS1CA12CA2
SCHEMBL10413111 0.95 S100B (0.59) S100BPTGS2PTGS1CA12CA2
SCHEMBL10413110 0.95 S100B (0.59) S100BPTGS2PTGS1CA12CA2
SCHEMBL4688279 0.94 S100B (0.57) S100BPTGS2PTGS1CA12CA2
SCHEMBL4787112 0.93 S100B (0.56) S100BPTGS2PTGS1CA12CA2
SCHEMBL4787108 0.93 S100B (0.56) S100BPTGS2PTGS1CA12CA2
SCHEMBL10412841 0.86 S100B (0.82) S100BPTGS2PTGS1CA12CA2
SCHEMBL10733285 0.86 S100B (0.82) S100BPTGS2PTGS1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679541-B Preparation method and application of metal organic ternary cyclic compound 大连理工大学 2022-03-18 CN claimed
CN-112679541-A Preparation method and application of metal organic ternary cyclic compound 大连理工大学 2021-04-20 CN claimed
CN-112679541-B Preparation method and application of metal organic ternary cyclic compound 大连理工大学 2022-03-18 CN disclosed
US-20210349035-A1 PATHOGEN MONITORING PLATYPUS TECHNOLOGIES, LLC 2021-11-11 US disclosed
US-20210318231-A1 Liquid Crystal-Based Detection of Air Contaminants Using Metal Surfaces NATIONAL SCIENCE FOUNDATION 2021-10-14 US disclosed
CN-112679541-A Preparation method and application of metal organic ternary cyclic compound 大连理工大学 2021-04-20 CN disclosed
US-10928306-B2 Functional surfaces for liquid crystal-based detection of chlorine gas WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-02-23 US disclosed
US-10705262-B2 Liquid crystal half-wave plate lens FACEBOOK TECHNOLOGIES, LLC (US) 2020-07-07 US disclosed
US-20190212254-A1 Functional Surfaces for Liquid Crystal-Based Detection of Chlorine Gas NATIONAL SCIENCE FOUNDATION 2019-07-11 US disclosed
US-20190212477-A1 Liquid Crystal Half-Wave Plate Lens META PLATFORMS TECHNOLOGIES, LLC 2019-07-11 US disclosed
US-10247858-B2 Liquid crystal half-wave plate lens FACEBOOK TECHNOLOGIES, LLC (US) 2019-04-02 US disclosed
US-6498156-B2 TREATING HYPERLIPIDEMIA, ARTERIOSCLEROSIS AND HYPERCHOLESTEROLEMIA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-24 US 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
US-20020128252-A1 Diphenylazetidinone derivatives, process for their preparation, medicaments comprising these compounds and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed
WO-2002050068-A1 DIPHENYL AZETIDINONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-27 WO 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-4101207-A Preparation of liquid crystal containing polymeric structure OWENS-ILLINOIS, INC. (US) 1978-07-18 US disclosed
US-4035060-A Electro-optic device DAINIPPON PRINTING CO., LTD (JA) 1977-07-12 US disclosed
US-3944330-A Electro-optic device DAINIPPON PRINTING CO., LTD. (JA) 1976-03-16 US disclosed
US-3935337-A Preparation of liquid crystal containing polymeric structure OWENS-ILLINOIS, INC. (US) 1976-01-27 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 (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-20020137689-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB7, NDUFB6 S100B 3938/4885PTGS2 1532/4885PTGS1 711/4885
US-20020128252-A1 Diphenylazetidinone derivatives, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB6, NDUFB7 S100B 4280/4885PTGS2 1665/4885PTGS1 711/4885

“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.