SCHEMBL139997

SCHEMBL139997

O=C=Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MIF P14174 1/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 3/20 0.39
TAAR1 Q96RJ0 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21993321 1.00 CYP3A4 (0.52) CYP3A4TSHRMAPK1TDP1ALDH1A1
Biphenyl SCHEMBL28576528 0.98 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1ALDH1A1
SCHEMBL23721668 0.90 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1ALDH1A1
SCHEMBL241534 0.90 CYP3A4 (0.61) CYP3A4TSHRMAPK1TDP1ALDH1A1
Sulfurous Acid SCHEMBL10391913 0.90 CYP3A4 (0.44) CYP3A4TSHRMAPK1TDP1ALDH1A1
Water SCHEMBL3898007 0.87 CYP3A4 (0.58) CYP3A4TSHRMAPK1TDP1ALDH1A1
Hydrogen Sulfide SCHEMBL3894665 0.87 CYP3A4 (0.58) CYP3A4TSHRMAPK1TDP1ALDH1A1
SCHEMBL1332539 0.85
SCHEMBL5925 0.85
SCHEMBL245090 0.85 MIF (0.55) CYP3A4TSHRMAPK1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772206-A Isocyanorhodium (I) zwitterionic complex, preparation method thereof, micelle, nano diagnosis and treatment probe and anticancer drug 兰州大学 2024-10-15 CN claimed
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US claimed
CN-113354778-B Solid polycarboxylate superplasticizer and preparation method thereof 中建西部建设建材科学研究院有限公司 2023-10-03 CN claimed
CN-112430322-B Covalent organic framework material based on imidazo [1,2-a ] pyridine connection and synthesis method thereof 兰州大学 2023-06-02 CN claimed
CN-113354778-A Solid polycarboxylic acid water reducing agent and preparation method thereof 中建西部建设建材科学研究院有限公司 2021-09-07 CN claimed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 US claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 WO claimed
CN-103221436-A New routes to polyacrylates COLOPLAST AS 2013-07-24 CN claimed
CN-103201296-A Novel photoinitiators COLOPLAST AS 2013-07-10 CN claimed
US-8269025-B2 Purification of p-dioxanone TYCO HEALTHCARE GROUP LP (US) 2012-09-18 US claimed
JP-2009527595-A 2009-07-30 JP claimed
EP-1987102-A1 COMPOSITION FOR PREPARING A BIODEGRADABLE POLYURETHANE- BASED FOAM AND A BIODEGRADABLE POLYURETHANE FOAM PHB Industrial S.A. (BR) 2008-11-05 EP claimed
EP-1987075-A1 COMPOSITION FOR PREPARING A DEGRADABLE POLYOL POLYESTER, PROCESS FOR OBTAINING A POLYOL POLYESTER, AN ELASTOMER, FOAMS, PAINTS AND ADHESIVES, AND A DEGRADABLE POLYOL POLYESTER FOAM PHB Industrial S.A. (BR) 2008-11-05 EP claimed
WO-2007095713-A1 COMPOSITION FOR PREPARING A BIODEGRADABLE POLYURETHANE- BASED FOAM AND A BIODEGRADABLE POLYURETHANE FOAM PHB INDUSTRIAL S.A. (BR) 2007-08-30 WO claimed
WO-2007095710-A1 COMPOSITION FOR PREPARING A DEGRADABLE POLYOL POLYESTER, PROCESS FOR OBTAINING A POLYOL POLYESTER, AN ELASTOMER, FOAMS, PAINTS AND ADHESIVES, AND A DEGRADABLE POLYOL POLYESTER FOAM PHB INDUSTRIAL S.A. (BR) 2007-08-30 WO claimed
EP-1761554-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME Biosource Pharm, Inc. (US) 2007-03-14 EP claimed
WO-2006083317-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM, INC. (US) 2006-08-10 WO claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-1453493-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA Pharma AG (DE) 2004-09-08 EP claimed
WO-2003043614-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-05-30 WO claimed

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-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885MAPK1 579/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885MAPK1 579/4885

“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.