SCHEMBL254849

SCHEMBL254849

COC(=O)c1ccc(-c2ccccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
TSHR P16473 1/20 0.55
PTPN1 P18031 2/20 0.54
PTPRC P08575 1/20 0.54
PTPRF P10586 1/20 0.54
CDC25B P30305 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
CFTR P13569 1/20 0.53
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
SLC6A3 Q01959 3/20 0.49
SLC6A4 P31645 2/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL31497795 1.00 EGFR (0.56) EGFRTSHRPTPN1PTPRCPTPRF
SCHEMBL29788171 0.85 EGFR (0.49) EGFRTSHRPTPN1PTPRCPTPRF
SCHEMBL2038076 0.85 EGFR (0.49) EGFRTSHRPTPN1PTPRCPTPRF
SCHEMBL27708108 0.84 EGFR (0.71) EGFRTSHRPTPN1PTPRCPTPRF
SCHEMBL28581732 0.83 KDM4E (0.62) EGFRALDH1A1HSD17B10CA1CA2
SCHEMBL13232062 0.82 EGFR (0.64) EGFRTSHRPTPN1PTPRCPTPRF
SCHEMBL396896 0.82 CA12 (0.54) TSHRALDH1A1HSD17B10CFTRCA1
SCHEMBL5654036 0.82 CYP1A2 (0.60) EGFRTSHRPTPN1ALDH1A1HSD17B10
SCHEMBL16712674 0.81 EGFR (0.63) EGFRPTPN1ALDH1A1HSD17B10CA1
SCHEMBL2035147 0.81 EGFR (0.71) EGFRTSHRPTPN1PTPRCPTPRF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129102-B1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF US HEALTH (US) 2025-06-18 EP disclosed
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10738047-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2020-08-11 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-20190048001-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF THE US SECRETARY DEPARTMENT OF HEALTH (US) 2019-02-14 US disclosed
US-10131659-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-20 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 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 (11 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 EGFR 1357/4885TSHR 2753/4885PTPN1 4080/4885
US-20190048001-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF NOX5, CYBB, NOX1 EGFR 4573/4885TSHR 3202/4885PTPN1 897/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 EGFR 1357/4885TSHR 2753/4885PTPN1 4080/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 EGFR 1357/4885TSHR 2753/4885PTPN1 4080/4885
US-10131659-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof NOX5, CYBB, NOX1 EGFR 4573/4885TSHR 3202/4885PTPN1 897/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 EGFR 1357/4885TSHR 2753/4885PTPN1 4080/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 EGFR 1357/4885TSHR 2753/4885PTPN1 4080/4885
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 EGFR 855/4885TSHR 380/4885PTPN1 3434/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 EGFR 779/4885TSHR 2802/4885PTPN1 4056/4885
US-10738047-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof NOX5, CYBB, NOX1 EGFR 4573/4885TSHR 3202/4885PTPN1 897/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 EGFR 1576/4885TSHR 2315/4885PTPN1 3644/4885

“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.