SCHEMBL4308808

SCHEMBL4308808

CN(C)c1ccnc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SIRT2 Q8IXJ6 11/20 0.46
CHRM5 P08912 1/20 0.41
CHKA P35790 1/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TERT O14746 1/20 0.36
APP P05067 1/20 0.36
TSHR P16473 1/20 0.36
TYMS P04818 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL8089293 0.82 POLB (0.41) ALDH1A1KDM4ESIRT2APPTSHR
SCHEMBL9480589 0.82 KDM4E (0.47) ALDH1A1KDM4ESIRT2CHRM5CHKA
SCHEMBL4313244 0.81 KDM4E (0.41) ALDH1A1KDM4ESIRT2CHRM5CHKA
SCHEMBL31098957 0.80 SIRT2 (0.41) ALDH1A1KDM4ESIRT2CHKATYMS
SCHEMBL29907776 0.80 KDM4E (0.46) ALDH1A1KDM4ESIRT2CHRM5CHKA
SCHEMBL15211555 0.80 KDM4E (0.46) ALDH1A1KDM4ESIRT2CHRM5CHKA
SCHEMBL4307694 0.80 KDM4E (0.46) ALDH1A1KDM4ESIRT2CHRM5CHKA
SCHEMBL15212887 0.80 KDM4E (0.46) ALDH1A1KDM4ESIRT2CHRM5CHKA
SCHEMBL31182983 0.80 KDM4E (0.46) ALDH1A1KDM4ESIRT2CHRM5CHKA
SCHEMBL7664616 0.80 KDM4E (0.50) ALDH1A1KDM4ESIRT2CHRM5CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104937493-B Composition for forming resist upper layer film for lithography and method for manufacturing semiconductor device 日产化学工业株式会社 2019-11-08 CN disclosed
CN-110218189-A A kind of simple and convenient process for preparing of Abbe Seeley intermediate and Abbe Seeley 新发药业有限公司 2019-09-10 CN disclosed
CN-106458880-B Organic selenium compound, preparation method and its medicinal usage especially as antitumor agent 特瑞海德公司 2019-09-10 CN disclosed
CN-109311861-A Process for producing diphenylmethane derivative 株式会社大熊制药 2019-02-05 CN disclosed
CN-106687471-B 3-Nitrogen or Sulfur substituted estra-1, 3,5(10), 16-tetraene AKR1C3 inhibitors 拜耳医药股份公司 2018-10-30 CN disclosed
CN-108524529-A Acid-sensitive adriamycin prodrug based on zwitterion and folic acid targeting as well as preparation method and application thereof 苏州大学 2018-09-14 CN disclosed
CN-105732590-B Pyrimido saturated fat ring diamine compounds and application thereof 华东理工大学 2018-07-24 CN disclosed
CN-105237560-B A kind of LZC696 intermediates and its synthetic method 上海博氏医药科技有限公司 2018-07-06 CN disclosed
CN-104812263-B The manufacture method of secure component and secure component 地方独立行政法人京都市产业技术研究所 2017-11-10 CN disclosed
CN-104530413-B A kind of bio-related substance of multiple functionalized H types polyethyleneglycol derivative modification 厦门赛诺邦格生物科技股份有限公司 2017-08-25 CN disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
EP-1981635-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba Holding Inc. (CH) 2008-10-22 EP disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed
CN-1219936-A New triazolopurines, method of preparing them and their use as drugs BOEHRINGER INGELHEIM KG (DE) 1999-06-16 CN disclosed
CN-86107742-A Quaternary ammoniated 2-position has the substituent carbon of assorted sulfane sulphur for the mould alkene of cyanogen 1987-08-12 CN disclosed
EP-0200777-A1 NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-11-12 EP disclosed
WO-1986002645-A1 NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 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 (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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 ALDH1A1 984/4885KDM4E 3219/4885SIRT2 577/4885

“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.