SCHEMBL689056

SCHEMBL689056

COc1c(C=O)cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
PRKDC P78527 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ERN1 O75460 6/20 0.39
TPMT P51580 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 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
SCHEMBL18609593 0.87 MAPT (0.49) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL10321237 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL689862 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL1599772 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL13376134 0.80 ALDH1A1 (0.60) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL17113788 0.80 MAPT (0.54) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL31454148 0.80 ERN1 (0.56) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL689445 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL1599088 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTALOX15TSHR
SCHEMBL17653060 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ECYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717162-A Urea derivatives as kinase inhibitors 奥苏拉收购有限公司 2021-11-30 CN disclosed
US-9890185-B2 Urea derivatives useful as kinase inhibitors RESPIVERT LIMITED (GB) 2018-02-13 US disclosed
EP-2484661-B1 2,3-DIHYDRO-1H-INDENE-2-YLUREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME TORAY INDUSTRIES (JP) 2017-04-26 EP disclosed
US-20160318958-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-03 US disclosed
EP-3083604-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS Respivert Limited (GB) 2016-10-26 EP disclosed
EP-2173734-B1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
WO-2015092423-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-06-25 WO disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
EP-2331506-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
EP-1692116-B1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMA (US) 2011-03-09 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
EP-1692116-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 EP disclosed
US-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-14 US disclosed
WO-2005056535-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 ALDH1A1 75/4885KDM4E 3042/4885CYP3A4 907/4885
US-20160318958-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS SYK, UACA, YES1 ALDH1A1 2713/4885KDM4E 763/4885CYP3A4 2852/4885
US-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder IL1A, IL1R1, IL1RN ALDH1A1 406/4885KDM4E 2211/4885CYP3A4 319/4885

“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.