SCHEMBL2931679

SCHEMBL2931679

CC(=O)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.77
CFTR P13569 9/20 0.65
KDM4E B2RXH2 1/20 0.64
HSD17B10 Q99714 1/20 0.64
GABRA1 P14867 1/20 0.61
GABRB2 P47870 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.60
GPR84 Q9NQS5 1/20 0.59
ALDH1A1 P00352 1/20 0.56
ATM Q13315 1/20 0.56
NR4A2 P43354 1/20 0.56
CREBBP Q92793 1/20 0.56
MAOB P27338 1/20 0.55

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
SCHEMBL29531272 0.87 PBRM1 (1.00) PBRM1SLC22A6GPR84ALDH1A1ATM
SCHEMBL50742 0.87 PBRM1 (1.00) PBRM1SLC22A6GPR84ALDH1A1ATM
Hydrochloric Acid SCHEMBL9481167 0.85 PBRM1 (0.96) PBRM1SLC22A6GPR84ALDH1A1ATM
SCHEMBL30688520 0.84 PBRM1 (0.59) PBRM1CFTRGABRA1GABRB2SLC22A6
SCHEMBL29551347 0.84 CFTR (0.67) PBRM1CFTRKDM4EHSD17B10GABRA1
SCHEMBL377150 0.84 CFTR (0.67) PBRM1CFTRKDM4EHSD17B10GABRA1
SCHEMBL399906 0.83 CFTR (0.71) PBRM1CFTRGABRA1GABRB2MAOB
Hydrochloric Acid SCHEMBL9046989 0.82 CFTR (0.65) PBRM1CFTRKDM4EHSD17B10GABRA1
Hydrochloric Acid SCHEMBL29766716 0.82 CFTR (0.65) PBRM1CFTRKDM4EHSD17B10GABRA1
Hydrochloric Acid SCHEMBL30585295 0.82 CFTR (0.65) PBRM1CFTRKDM4EHSD17B10GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327456-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-11-16 US disclosed
US-9751839-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-06 US disclosed
US-20170066722-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2017-03-09 US disclosed
US-9371287-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-21 US disclosed
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150073015-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2015-03-12 US disclosed
EP-1773816-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2015-01-07 EP disclosed
US-20140350281-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2014-11-27 US disclosed
US-8835639-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-16 US disclosed
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-17 US disclosed
US-20100267768-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-21 US disclosed
EP-1730135-B1 QIUNOLIN-4-ONES AS INHIBITORS OF RETROVIRAL INTEGRASE FOR THE TREATMENT OF HIV, AIDS AND AIDS RELATED COMPLEX (ARC) US OF AMERICA REPRESENTED BY T (US) 2010-09-22 EP disclosed
US-7776883-B2 Quinolin-4-ones as inhibitors of retroviral integrase for the treatment of HIV, AIDS and AIDS related complex (ARC) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-08-17 US disclosed
US-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US disclosed
WO-2007079139-A9 SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMA (US) 2007-11-29 WO disclosed
EP-1857104-A1 USE OF CINNAMOYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP disclosed
US-20070219242-A1 Quinolin-4-Ones as Inhibitors of Retroviral Integrase for the Treatment of Hiv, Aids and Aids Related Complex (Arc) GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, THE 2007-09-20 US disclosed
EP-1730135-A1 QIUNOLIN-4-ONES AS INHIBITORS OF RETROVIRAL INTEGRASE FOR THE TREATMENT OF HIV, AIDS AND AIDS RELATED COMPLEX (ARC) The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2006-12-13 EP disclosed
WO-2005087759-A1 QIUNOLIN-4-ONES AS INHIBITORS OF RETROVIRAL INTEGRASE FOR THE TREATMENT OF HIV, AIDS AND AIDS RELATED COMPLEX (ARC) THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-22 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 (10 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-20170327456-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 PBRM1 3957/4885CFTR 1/4885KDM4E 3089/4885
US-20100267768-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 PBRM1 3957/4885CFTR 1/4885KDM4E 3089/4885
US-20140350281-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 PBRM1 3957/4885CFTR 1/4885KDM4E 3089/4885
US-20170066722-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE CBR3, AGTR1, CBR1 PBRM1 2714/4885CFTR 1006/4885KDM4E 4288/4885
US-20150073015-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 PBRM1 3957/4885CFTR 1/4885KDM4E 3089/4885
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 PBRM1 3957/4885CFTR 1/4885KDM4E 3089/4885
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 PBRM1 3957/4885CFTR 1/4885KDM4E 3089/4885
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 PBRM1 3957/4885CFTR 1/4885KDM4E 3089/4885
US-20070219242-A1 Quinolin-4-Ones as Inhibitors of Retroviral Integrase for the Treatment of Hiv, Aids and Aids Related Complex (Arc) QTRT1, QTRT2, CTCF PBRM1 1982/4885CFTR 4388/4885KDM4E 833/4885
US-20090143368-A1 Use of Cinnamoyl Compound COL2A1, COL1A1, SMAD2 PBRM1 3928/4885CFTR 1195/4885KDM4E 1537/4885

“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.